4-methyl-3-nitro-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(3-thenyl)piperazino]ethyl]-4-methyl-3-nitro-benzamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-14-2-3-16(10-17(14)23(26)27)19(25)20-11-18(24)22-7-5-21(6-8-22)12-15-4-9-28-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,20,25)