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

Systemtic Name: methyl 3-chloranyl-6-[(4-methylphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(p-tolylmethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-methylbenzyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H17ClN2O2S2/c1-11-3-5-12(6-4-11)10-21-19(25)22-13-7-8-14-15(9-13)26-17(16(14)20)18(23)24-2/h3-9H,10H2,1-2H3,(H2,21,22,25)