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

Systemtic Name: 2-methyl-3-nitro-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]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-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]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-2-methyl-3-nitro-benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-19-22(10-6-11-23(19)30(32)33)26(31)27-20(2)25(24-12-7-17-34-24)29-15-13-28(14-16-29)18-21-8-4-3-5-9-21/h3-12,17,20,25H,13-16,18H2,1-2H3,(H,27,31)