N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[4-[[4-(m-tolyl)piperazin-1-yl]methyl]phenyl]-4-(2-thienyl)butanamide CAS Name: N-[4-[[4-(3-methylphenyl)-1-piperazinyl]methyl]phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[4-[[4-(m-tolyl)piperazino]methyl]phenyl]-4-(2-thienyl)butyramide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C26H31N3OS/c1-21-5-2-6-24(19-21)29-16-14-28(15-17-29)20-22-10-12-23(13-11-22)27-26(30)9-3-7-25-8-4-18-31-25/h2,4-6,8,10-13,18-19H,3,7,9,14-17,20H2,1H3,(H,27,30)