(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-piperonyl-3-(p-tolylthio)propionamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-13-3-6-16(7-4-13)27-11-17(22-14(2)23)20(24)21-10-15-5-8-18-19(9-15)26-12-25-18/h3-9,17H,10-12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1