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

Systemtic Name: 4-ethoxy-3-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-ethoxy-3-nitro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C25H30N6O6S MolecularWeight: 542.6073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O6S/c1-2-37-23-9-6-18(16-22(23)31(35)36)24(32)26-25(38)29-14-12-27(13-15-29)19-7-8-20(30(33)34)21(17-19)28-10-4-3-5-11-28/h6-9,16-17H,2-5,10-15H2,1H3,(H,26,32,38)