N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]-4-(3-thienylmethyl)piperazine-1-carboxamide CAS Name: N-[1-(4-nitroanilino)-1-oxopropan-2-yl]-4-(3-thiophenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(4-nitroanilino)-1-oxopropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[2-keto-1-methyl-2-(4-nitroanilino)ethyl]-4-(3-thenyl)piperazine-1-carboxamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H23N5O4S/c1-14(18(25)21-16-2-4-17(5-3-16)24(27)28)20-19(26)23-9-7-22(8-10-23)12-15-6-11-29-13-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,20,26)(H,21,25)