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

Systemtic Name: methyl 3-chloranyl-6-[(2-methylsulfanylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methylsulfanylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methylsulfanylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(methylthio)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H15ClN2O2S3 MolecularWeight: 422.9719

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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=C3SC)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3SC)Cl

InChI

InChI=1S/C18H15ClN2O2S3/c1-23-17(22)16-15(19)11-8-7-10(9-14(11)26-16)20-18(24)21-12-5-3-4-6-13(12)25-2/h3-9H,1-2H3,(H2,20,21,24)