N-(5-chloranyl-2-methoxy-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C26H27ClN2O2S MolecularWeight: 467.02278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C26H27ClN2O2S/c1-31-24-13-12-22(27)18-23(24)28-25(32)29-16-14-21(15-17-29)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,28,32)