N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[4-(m-tolyl)piperazino]propyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C23H31N3OS/c1-18-6-4-8-20(16-18)26-14-12-25(13-15-26)11-5-10-24-23(27)22-17-19-7-2-3-9-21(19)28-22/h4,6,8,16-17H,2-3,5,7,9-15H2,1H3,(H,24,27)