3,5-bis(chloranyl)-2-methoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C24H27Cl2N5O4S MolecularWeight: 552.47328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)Cl)Cl

InChI

InChI=1S/C24H27Cl2N5O4S/c1-35-22-18(13-16(25)14-19(22)26)23(32)27-24(36)30-11-9-28(10-12-30)17-5-6-20(31(33)34)21(15-17)29-7-3-2-4-8-29/h5-6,13-15H,2-4,7-12H2,1H3,(H,27,32,36)