methyl 3-chloranyl-6-[[phenyl-(phenylmethyl)carbamothioyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[phenyl-(phenylmethyl)carbamothioyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[benzyl(phenyl)carbamothioyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[benzyl(phenyl)carbamothioyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[benzyl(phenyl)thiocarbamoyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H19ClN2O2S2 MolecularWeight: 467.00286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H19ClN2O2S2/c1-29-23(28)22-21(25)19-13-12-17(14-20(19)31-22)26-24(30)27(18-10-6-3-7-11-18)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,26,30)