N'-(3,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(3,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(3,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(3,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(3,5-dimethylphenyl)-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(=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-15-10-16(2)12-18(11-15)23-21(27)20(26)22-13-19(17-4-9-28-14-17)25-7-5-24(3)6-8-25/h4,9-12,14,19H,5-8,13H2,1-3H3,(H,22,26)(H,23,27)