2-methyl-3-nitro-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-methyl-3-nitro-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-methyl-3-nitro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-13-16(3-2-4-17(13)24(28)29)18(25)20-19(30)22-11-9-21(10-12-22)14-5-7-15(8-6-14)23(26)27/h2-8H,9-12H2,1H3,(H,20,25,30)