N-(2-methoxy-4-nitro-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-[hydroxy(diphenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[hydroxy(diphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[hydroxy(diphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[hydroxy(diphenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C26H27N3O4S/c1-33-24-18-22(29(31)32)12-13-23(24)27-25(34)28-16-14-21(15-17-28)26(30,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,21,30H,14-17H2,1H3,(H,27,34)