2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C32H29N3O2S MolecularWeight: 519.65656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

InChI

InChI=1S/C32H29N3O2S/c1-2-30(31(36)34-26-14-16-28(17-15-26)37-27-11-7-4-8-12-27)38-32-25(21-33)20-24-19-23(13-18-29(24)35-32)22-9-5-3-6-10-22/h3-12,14-17,20,23,30H,2,13,18-19H2,1H3,(H,34,36)