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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]propanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2OS/c1-17-8-9-21(14-18(17)2)26-13-11-22(25)23-20-10-12-24(16-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,23,25)