N-[(4-methylphenyl)methyl]-N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N-[(4-methylphenyl)methyl]-N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-N-(p-tolylmethyl)oxamide CAS Name: N-[(4-methylphenyl)methyl]-N'-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N-[(4-methylphenyl)methyl]-N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N-(4-methylbenzyl)-N'-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]oxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H28N4O2S/c1-16-3-5-17(6-4-16)13-22-20(26)21(27)23-14-19(18-7-12-28-15-18)25-10-8-24(2)9-11-25/h3-7,12,15,19H,8-11,13-14H2,1-2H3,(H,22,26)(H,23,27)