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

Systemtic Name: N'-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(4-ethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-N'-p-phenetyl-oxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H28N4O3S/c1-3-28-18-6-4-17(5-7-18)23-21(27)20(26)22-14-19(16-8-13-29-15-16)25-11-9-24(2)10-12-25/h4-8,13,15,19H,3,9-12,14H2,1-2H3,(H,22,26)(H,23,27)