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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-13-2-4-17-14(8-13)9-15(11-22)21(24-17)28-7-6-20(25)23-16-3-5-18-19(10-16)27-12-26-18/h3,5,9-10,13H,2,4,6-8,12H2,1H3,(H,23,25)