ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-dimethylaminophenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O2S2 MolecularWeight: 439.5935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H25N3O2S2/c1-5-28-22(27)20-19(16-9-7-6-8-10-16)15(2)30-21(20)25-23(29)24-17-11-13-18(14-12-17)26(3)4/h6-14H,5H2,1-4H3,(H2,24,25,29)