methyl 3-chloranyl-6-[(4-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-methoxyphenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(p-anisylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN2O3S2 MolecularWeight: 420.93288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H17ClN2O3S2/c1-24-13-6-3-11(4-7-13)10-21-19(26)22-12-5-8-14-15(9-12)27-17(16(14)20)18(23)25-2/h3-9H,10H2,1-2H3,(H2,21,22,26)