3-chloranyl-N-[2-[1-(4-methylphenyl)propylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[1-(4-methylphenyl)propylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-[1-(p-tolyl)propylamino]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[1-(p-tolyl)propylamino]ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

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