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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-p-anisyl-butyramide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C28H29N3O2S/c1-3-26(27(32)30-18-19-9-12-24(33-2)13-10-19)34-28-23(17-29)16-22-15-21(11-14-25(22)31-28)20-7-5-4-6-8-20/h4-10,12-13,16,21,26H,3,11,14-15,18H2,1-2H3,(H,30,32)