(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(o-tolylmethylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylthio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide Traditional Name: (2R)-2-[(2-methylbenzyl)thio]-N-piperonyl-propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1CS[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21NO3S/c1-13-5-3-4-6-16(13)11-24-14(2)19(21)20-10-15-7-8-17-18(9-15)23-12-22-17/h3-9,14H,10-12H2,1-2H3,(H,20,21)/t14-/m1/s1