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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3S/c1-12-5-4-6-16-13(2)9-19(23-20(12)16)27-14(3)21(24)22-15-7-8-17-18(10-15)26-11-25-17/h4-10,14H,11H2,1-3H3,(H,22,24)/t14-/m1/s1