(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-piperonyl-propionamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O3S/c1-13-5-4-6-17-14(2)9-20(24-21(13)17)28-15(3)22(25)23-11-16-7-8-18-19(10-16)27-12-26-18/h4-10,15H,11-12H2,1-3H3,(H,23,25)/t15-/m1/s1