3-(3,4-dimethylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H30N2OS/c1-18-8-9-22(16-19(18)2)27-15-12-23(26)24-21-10-13-25(14-11-21)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)