methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H21ClN2O2S3 MolecularWeight: 525.10514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O2S3/c1-16-22(17-8-4-3-5-9-17)23(25(30)31-2)24(33-16)29-26(32)28-20-10-6-7-11-21(20)34-19-14-12-18(27)13-15-19/h3-15H,1-2H3,(H2,28,29,32)