3,4,5-trimethoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4,5-trimethoxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C26H33N5O6S MolecularWeight: 543.63512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H33N5O6S/c1-35-22-15-18(16-23(36-2)24(22)37-3)25(32)27-26(38)30-13-11-28(12-14-30)19-7-8-20(31(33)34)21(17-19)29-9-5-4-6-10-29/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,32,38)