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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=CC(=O)C1)NCC2C3=CC=CC=C3CCN2C(=S)NC4CCCC4)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/h3,6-7,10,13,18,22,25H,4-5,8-9,11-12,14-16H2,1-2H3,(H,26,29)