N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2CN(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2CN(C)C)C

InChI

InChI=1S/C21H28N2OS/c1-16-9-10-20(13-17(16)2)25-12-11-21(24)22-14-18-7-5-6-8-19(18)15-23(3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,22,24)