N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidino-benzamide Formula: C23H25ClN6O5S MolecularWeight: 532.9998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN6O5S/c24-18-15-17(29(32)33)5-7-19(18)27-10-12-28(13-11-27)23(36)25-22(31)16-4-6-20(21(14-16)30(34)35)26-8-2-1-3-9-26/h4-7,14-15H,1-3,8-13H2,(H,25,31,36)