N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(2-chloro-6-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=CC=C4Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=CC=C4Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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