(1R)-N-cyclopentyl-1-[[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1R)-N-cyclopentyl-1-[[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1R)-N-cyclopentyl-1-[[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1R)-N-cyclopentyl-1-[[(3,3-dimethyl-5-oxocyclohexylidene)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1R)-N-cyclopentyl-1-[[(3,3-dimethyl-5-oxocyclohexylidene)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1R)-N-cyclopentyl-1-[[(5-keto-3,3-dimethyl-cyclohexylidene)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C24H33N3OS MolecularWeight: 411.60332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCC2C3=CC=CC=C3CCN2C(=S)NC4CCCC4)CC(=O)C1)C

Isomeric SMILES

CC1(CC(=NC[C@H]2C3=CC=CC=C3CCN2C(=S)NC4CCCC4)CC(=O)C1)C

InChI

InChI=1S/C24H33N3OS/c1-24(2)14-19(13-20(28)15-24)25-16-22-21-10-6-3-7-17(21)11-12-27(22)23(29)26-18-8-4-5-9-18/h3,6-7,10,18,22H,4-5,8-9,11-16H2,1-2H3,(H,26,29)/t22-/m0/s1