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

Systemtic Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H23ClN2O2S3 MolecularWeight: 539.13172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN2O2S3/c1-2-32-26(31)22-17-21(16-18-8-4-3-5-9-18)35-25(22)30-27(33)29-23-10-6-7-11-24(23)34-20-14-12-19(28)13-15-20/h3-15,17H,2,16H2,1H3,(H2,29,30,33)