3,4-dimethyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3,4-dimethyl-benzamide Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H33N3OS/c1-20-11-12-24(18-21(20)2)27(31)28-22(3)26(25-10-7-17-32-25)30-15-13-29(14-16-30)19-23-8-5-4-6-9-23/h4-12,17-18,22,26H,13-16,19H2,1-3H3,(H,28,31)