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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]butyramide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

InChI

InChI=1S/C27H25N3O3S/c1-2-25(26(31)29-21-9-11-23-24(14-21)33-16-32-23)34-27-20(15-28)13-19-12-18(8-10-22(19)30-27)17-6-4-3-5-7-17/h3-7,9,11,13-14,18,25H,2,8,10,12,16H2,1H3,(H,29,31)