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

Systemtic Name: 3,4-dimethoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4-dimethoxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C25H31N5O5S MolecularWeight: 513.60914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O5S/c1-34-22-9-6-18(16-23(22)35-2)24(31)26-25(36)29-14-12-27(13-15-29)19-7-8-20(30(32)33)21(17-19)28-10-4-3-5-11-28/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,26,31,36)