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

Systemtic Name: 3-chloranyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-[4-(m-tolyl)piperazino]propyl]benzothiophene-2-carboxamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3OS/c1-17-6-4-7-18(16-17)27-14-12-26(13-15-27)11-5-10-25-23(28)22-21(24)19-8-2-3-9-20(19)29-22/h2-4,6-9,16H,5,10-15H2,1H3,(H,25,28)