N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H21N3O3S/c1-12-3-5-17-14(7-12)8-15(10-22)21(24-17)28-13(2)20(25)23-16-4-6-18-19(9-16)27-11-26-18/h4,6,8-9,12-13H,3,5,7,11H2,1-2H3,(H,23,25)