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

Systemtic Name: 3,4-diethoxy-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-diethoxy-benzamide CAS Name: 3,4-diethoxy-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-diethoxybenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3,4-diethoxy-benzamide Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C29H37N3O3S/c1-4-34-25-14-13-24(20-26(25)35-5-2)29(33)30-22(3)28(27-12-9-19-36-27)32-17-15-31(16-18-32)21-23-10-7-6-8-11-23/h6-14,19-20,22,28H,4-5,15-18,21H2,1-3H3,(H,30,33)