Thursday, March 29, 2012

http://ChemLookup.com Compounds




CAS RN: 22042-87-1
CAS Name: (propylideneamino)thiourea
OPENEYE Name: (propylideneamino)thiourea
IUPAC Name: (propylideneamino)thiourea
SYSTEMATIC NAME: 1-(propylideneamino)thiourea
MOLECULAR FORMULA: C4H9N3S
MOLECULAR WEIGHT: 131.19936
SMILES: CCC=NNC(=S)N
Structure:

CAS RN: 6334-23-2
CAS Name: [(4-methylsulfonylphenyl)methylideneamino]thiourea
OPENEYE Name: [(4-methylsulfonylphenyl)methyleneamino]thiourea
IUPAC Name: [(4-methylsulfonylphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(4-methylsulfonylphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C9H11N3O2S2
MOLECULAR WEIGHT: 257.33254
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C=NNC(=S)N
Structure:

CAS RN: 87866-18-0
CAS Name: 7-amino-2,3-dihydrotriazolo[4,5-d]pyrimidine-5-thione
OPENEYE Name: 7-amino-2,3-dihydrotriazolo[4,5-d]pyrimidine-5-thione
IUPAC Name: 7-amino-2,3-dihydrotriazolo[4,5-d]pyrimidine-5-thione
SYSTEMATIC NAME: 7-azanyl-2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5-thione
MOLECULAR FORMULA: C4H4N6S
MOLECULAR WEIGHT: 168.17976
SMILES: C12=NNNC1=NC(=S)N=C2N
Structure:

CAS RN: 1908-88-9
CAS Name: 4,4-dimethyl-2-thiazolidinethione
OPENEYE Name: 4,4-dimethylthiazolidine-2-thione
IUPAC Name: 4,4-dimethyl-1,3-thiazolidine-2-thione
SYSTEMATIC NAME: 4,4-dimethyl-1,3-thiazolidine-2-thione
MOLECULAR FORMULA: C5H9NS2
MOLECULAR WEIGHT: 147.26166
SMILES: CC1(CSC(=S)N1)C
Structure:

CAS RN: 559-74-0
CAS Name: (4R,4aS,6aS,6bR,8aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
OPENEYE Name: (4R,4aS,6aS,6bR,8aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
IUPAC Name: (4R,4aS,6aS,6bR,8aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
SYSTEMATIC NAME: (4R,4aS,6aS,6bR,8aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5(C4CC(CC5)(C)C)C)C)C)C)C
Structure:

CAS RN: 149488-31-3
CAS Name: 1-[2-(3-ethoxyphenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(3-ethoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(3-ethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(3-ethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C14H17N3OS2
MOLECULAR WEIGHT: 307.43428
SMILES: CCOC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
Structure:

CAS RN: 149485-75-6
CAS Name: 1-[2-(2-chlorophenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(2-chlorophenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(2-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H12ClN3S2
MOLECULAR WEIGHT: 297.82678
SMILES: C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CS2)Cl
Structure:

CAS RN: 172505-79-2
CAS Name: 1-[2-(2-hydroxyphenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(2-hydroxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(2-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H13N3OS2
MOLECULAR WEIGHT: 279.38112
SMILES: C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CS2)O
Structure:

CAS RN: 172505-78-1
CAS Name: 1-[2-(2-nitrophenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(2-nitrophenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(2-nitrophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-nitrophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H12N4O2S2
MOLECULAR WEIGHT: 308.37928
SMILES: C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CS2)[N+](=O)[O-]
Structure:

CAS RN: 149486-03-3
CAS Name: 1-[2-(2-azidophenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(2-azidophenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H12N6S2
MOLECULAR WEIGHT: 304.39388
SMILES: C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CS2)N=[N+]=[N-]
Structure:

CAS RN: 149486-23-7
CAS Name: 1-[2-(2-methylphenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(o-tolyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C13H15N3S2
MOLECULAR WEIGHT: 277.4083
SMILES: CC1=CC=CC=C1CCNC(=S)NC2=NC=CS2
Structure:

CAS RN: 149485-99-4
CAS Name: 1-[2-(3-methoxyphenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(3-methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C13H15N3OS2
MOLECULAR WEIGHT: 293.4077
SMILES: COC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
Structure:

CAS RN: 149485-77-8
CAS Name: 1-[2-(4-fluorophenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(4-fluorophenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(4-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(4-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H12FN3S2
MOLECULAR WEIGHT: 281.372183
SMILES: C1=CC(=CC=C1CCNC(=S)NC2=NC=CS2)F
Structure:

CAS RN: 149486-04-4
CAS Name: 1-[2-(3-fluorophenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(3-fluorophenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H12FN3S2
MOLECULAR WEIGHT: 281.372183
SMILES: C1=CC(=CC(=C1)F)CCNC(=S)NC2=NC=CS2
Structure:

CAS RN: 149485-92-7
CAS Name: 1-[2-(2-fluorophenyl)ethyl]-3-(2-thiazolyl)thiourea
OPENEYE Name: 1-[2-(2-fluorophenyl)ethyl]-3-thiazol-2-yl-thiourea
IUPAC Name: 1-[2-(2-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
MOLECULAR FORMULA: C12H12FN3S2
MOLECULAR WEIGHT: 281.372183
SMILES: C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CS2)F
Structure:

CAS RN: 181305-38-4
CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea
OPENEYE Name: 1-(5-bromo-2-pyridyl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-(5-bromanylpyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea
MOLECULAR FORMULA: C18H22BrN3O2S
MOLECULAR WEIGHT: 424.35518
SMILES: CCOC1=CC(=C(C=C1)OCC)CCNC(=S)NC2=NC=C(C=C2)Br
Structure:

CAS RN: 181305-36-2
CAS Name: 1-(5-chloro-2-pyridinyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
OPENEYE Name: 1-(5-chloro-2-pyridyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
IUPAC Name: 1-(5-chloropyridin-2-yl)-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-(5-chloranylpyridin-2-yl)-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
MOLECULAR FORMULA: C16H18ClN3O2S
MOLECULAR WEIGHT: 351.85102
SMILES: COC1=CC(=C(C=C1)OC)CCNC(=S)NC2=NC=C(C=C2)Cl
Structure:

CAS RN: 181305-34-0
CAS Name: 1-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-3-(5-cyano-2-pyridinyl)thiourea
OPENEYE Name: 1-[2-(2-cyano-6-fluoro-3-methoxy-phenyl)ethyl]-3-(5-cyano-2-pyridyl)thiourea
IUPAC Name: 1-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-cyano-6-fluoranyl-3-methoxy-phenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea
MOLECULAR FORMULA: C17H14FN5OS
MOLECULAR WEIGHT: 355.389363
SMILES: COC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)C#N)C#N
Structure:

CAS RN: 181305-33-9
CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea
OPENEYE Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-cyano-6-fluoro-3-methoxy-phenyl)ethyl]thiourea
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-(5-bromanylpyridin-2-yl)-3-[2-(2-cyano-6-fluoranyl-3-methoxy-phenyl)ethyl]thiourea
MOLECULAR FORMULA: C16H14BrFN4OS
MOLECULAR WEIGHT: 409.275963
SMILES: COC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)C#N
Structure:

CAS RN: 181305-32-8
CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea
OPENEYE Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-cyano-3-ethoxy-6-fluoro-phenyl)ethyl]thiourea
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-(5-bromanylpyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-fluoranyl-phenyl)ethyl]thiourea
MOLECULAR FORMULA: C17H16BrFN4OS
MOLECULAR WEIGHT: 423.302543
SMILES: CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)C#N
Structure:

CAS RN: 181305-28-2
CAS Name: 1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-(5-cyano-2-pyridinyl)thiourea
OPENEYE Name: 1-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)ethyl]-3-(5-cyano-2-pyridyl)thiourea
IUPAC Name: 1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea
SYSTEMATIC NAME: 1-[2-(2-chloranyl-3-ethoxy-6-fluoranyl-phenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea
MOLECULAR FORMULA: C17H16ClFN4OS
MOLECULAR WEIGHT: 378.851543
SMILES: CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)C#N)Cl
Structure:

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