S-cyclohexa-1,5-dien-1-yl N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]carbamothioate

Systemtic Name: S-cyclohexa-1,5-dien-1-yl N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]carbamothioate Openeye Name: S-cyclohexa-1,5-dien-1-yl N-[[3-(6-isopropyl-8-quinolyl)phenyl]methyl]carbamothioate CAS Name: N-[[3-(6-propan-2-yl-8-quinolinyl)phenyl]methyl]carbamothioic acid S-(1-cyclohexa-1,5-dienyl) ester IUPAC Name: S-cyclohexa-1,5-dien-1-yl N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]carbamothioate Traditional Name: N-[3-(6-isopropyl-8-quinolyl)benzyl]thiocarbamic acid S-cyclohexa-1,5-dien-1-yl ester Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CNC(=O)SC4=CCCC=C4

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CNC(=O)SC4=CCCC=C4

InChI

InChI=1S/C26H26N2OS/c1-18(2)22-15-21-10-7-13-27-25(21)24(16-22)20-9-6-8-19(14-20)17-28-26(29)30-23-11-4-3-5-12-23/h4,6-16,18H,3,5,17H2,1-2H3,(H,28,29)