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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21ClN2O2S3/c1-31-25(30)21-16-20(15-17-7-3-2-4-8-17)34-24(21)29-26(32)28-22-9-5-6-10-23(22)33-19-13-11-18(27)12-14-19/h2-14,16H,15H2,1H3,(H2,28,29,32)