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

Systemtic Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(4-methyl-2-nitrophenyl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(4-methyl-2-nitrophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]oxamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S/c1-14-3-4-16(17(11-14)25(28)29)22-20(27)19(26)21-12-18(15-5-10-30-13-15)24-8-6-23(2)7-9-24/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,26)(H,22,27)