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

Systemtic Name: N'-(4-methyl-2-nitro-phenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(4-methyl-2-nitrophenyl)-N-[2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(4-methyl-2-nitrophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-pyrrolidino-2-(3-thienyl)ethyl]oxamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-13-4-5-15(16(10-13)23(26)27)21-19(25)18(24)20-11-17(14-6-9-28-12-14)22-7-2-3-8-22/h4-6,9-10,12,17H,2-3,7-8,11H2,1H3,(H,20,24)(H,21,25)