methyl 3-chloranyl-6-(1-phenylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(1-phenylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1-phenylethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(1-phenylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1-phenylethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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