methyl 3-[(4-chlorophenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-chlorobenzoyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-chlorobenzoyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O3S2/c1-24-17(23)15-14(12-4-2-3-5-13(12)26-15)20-18(25)21-16(22)10-6-8-11(19)9-7-10/h2-9H,1H3,(H2,20,21,22,25)