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

Systemtic Name: 3-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-4-piperidino-benzamide Formula: C28H35N7O5S MolecularWeight: 581.6864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H35N7O5S/c36-27(21-7-9-23(26(19-21)35(39)40)31-11-3-1-4-12-31)29-28(41)33-17-15-30(16-18-33)22-8-10-24(34(37)38)25(20-22)32-13-5-2-6-14-32/h7-10,19-20H,1-6,11-18H2,(H,29,36,41)