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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butyramide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-5-22(23(29)27-18-7-9-20-21(12-18)31-14-30-20)32-24-16(13-26)10-15-11-17(25(2,3)4)6-8-19(15)28-24/h7,9-10,12,17,22H,5-6,8,11,14H2,1-4H3,(H,27,29)