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

Systemtic Name: methyl 3-chloranyl-6-[(3-ethanoylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(3-acetylphenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(3-acetylphenyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(3-acetylphenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H15ClN2O3S2 MolecularWeight: 418.917

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H15ClN2O3S2/c1-10(23)11-4-3-5-12(8-11)21-19(26)22-13-6-7-14-15(9-13)27-17(16(14)20)18(24)25-2/h3-9H,1-2H3,(H2,21,22,26)