N-(2-methoxy-5-phenyl-phenyl)-4-[1-(2-phenoxybutanoyl)piperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-phenyl-phenyl)-4-[1-(2-phenoxybutanoyl)piperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(2-methoxy-5-phenyl-phenyl)-4-[1-(2-phenoxybutanoyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(2-methoxy-5-phenylphenyl)-4-[1-(1-oxo-2-phenoxybutyl)-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methoxy-5-phenylphenyl)-4-[1-(2-phenoxybutanoyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(2-methoxy-5-phenyl-phenyl)-4-[1-(2-phenoxybutanoyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C34H41N3O3S MolecularWeight: 571.77264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC)OC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)N1CCC(CC1)C2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC)OC5=CC=CC=C5

InChI

InChI=1S/C34H41N3O3S/c1-3-31(40-29-12-8-5-9-13-29)33(38)36-20-16-26(17-21-36)27-18-22-37(23-19-27)34(41)35-30-24-28(14-15-32(30)39-2)25-10-6-4-7-11-25/h4-15,24,26-27,31H,3,16-23H2,1-2H3,(H,35,41)