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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidino-benzamide Formula: C24H28N6O6S MolecularWeight: 528.58072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O6S/c1-36-18-6-8-20(22(16-18)30(34)35)27-11-13-28(14-12-27)24(37)25-23(31)17-5-7-19(21(15-17)29(32)33)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3,(H,25,31,37)