N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-nitrobenzamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-30-15-5-6-16(17(12-15)24(28)29)21-7-9-22(10-8-21)19(31)20-18(25)13-3-2-4-14(11-13)23(26)27/h2-6,11-12H,7-10H2,1H3,(H,20,25,31)