N-(3-methylsulfanylphenyl)-N'-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanediamide

Systemtic Name: N-(3-methylsulfanylphenyl)-N'-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanediamide Openeye Name: N'-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-N-(3-methylsulfanylphenyl)oxamide CAS Name: N-[3-(methylthio)phenyl]-N'-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]oxamide IUPAC Name: N'-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(3-methylsulfanylphenyl)oxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-[3-(methylthio)phenyl]oxamide Formula: C27H32N4O2S2 MolecularWeight: 508.69858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C27H32N4O2S2/c1-20(28-26(32)27(33)29-22-10-6-11-23(18-22)34-2)25(24-12-7-17-35-24)31-15-13-30(14-16-31)19-21-8-4-3-5-9-21/h3-12,17-18,20,25H,13-16,19H2,1-2H3,(H,28,32)(H,29,33)