3-chloranyl-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(2-methylanilino)-2-oxo-ethyl]-N-propyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(o-toluidino)ethyl]-N-propyl-benzothiophene-2-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-3-12-24(13-18(25)23-16-10-6-4-8-14(16)2)21(26)20-19(22)15-9-5-7-11-17(15)27-20/h4-11H,3,12-13H2,1-2H3,(H,23,25)