(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-N-methyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-N-methyl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)thio]-N-methylpropanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-N-methylpropanamide Traditional Name: (2S)-2-[(4-chlorophenyl)thio]-N-methyl-N-piperonyl-propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-12(24-15-6-4-14(19)5-7-15)18(21)20(2)10-13-3-8-16-17(9-13)23-11-22-16/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1