N-(3-chloranyl-4-methyl-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)Cl

InChI

InChI=1S/C26H27ClN2OS/c1-19-12-13-23(18-24(19)27)28-25(31)29-16-14-22(15-17-29)26(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,22,30H,14-17H2,1H3,(H,28,31)