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

Systemtic Name: 3-chloranyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-15-5-4-6-16(13-15)25-9-11-26(12-10-25)19(27)14-24-22(28)21-20(23)17-7-2-3-8-18(17)29-21/h2-8,13H,9-12,14H2,1H3,(H,24,28)