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

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidino-benzamide Formula: C27H33N7O6S MolecularWeight: 583.65922

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-])N5CCOCC5)[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-])N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O6S/c35-26(20-4-6-22(25(18-20)34(38)39)30-8-2-1-3-9-30)28-27(41)32-12-10-29(11-13-32)21-5-7-23(33(36)37)24(19-21)31-14-16-40-17-15-31/h4-7,18-19H,1-3,8-17H2,(H,28,35,41)