N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2,4,6-trimethylphenyl)ethanediamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2,4,6-trimethylphenyl)ethanediamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide Traditional Name: N'-mesityl-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]oxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-15-11-16(2)20(17(3)12-15)24-22(28)21(27)23-13-19(18-5-10-29-14-18)26-8-6-25(4)7-9-26/h5,10-12,14,19H,6-9,13H2,1-4H3,(H,23,27)(H,24,28)