methyl 3-chloranyl-6-[(2-phenylsulfanylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-phenylsulfanylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-phenylsulfanylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-phenylsulfanylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(phenylthio)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H17ClN2O2S3 MolecularWeight: 485.04128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3SC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3SC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN2O2S3/c1-28-22(27)21-20(24)16-12-11-14(13-19(16)31-21)25-23(29)26-17-9-5-6-10-18(17)30-15-7-3-2-4-8-15/h2-13H,1H3,(H2,25,26,29)