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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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