(4S)-5,8-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (4S)-5,8-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4S)-4-hydroxy-5,8-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4S)-4-hydroxy-5,8-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4S)-4-hydroxy-5,8-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4S)-4-hydroxy-5,8-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CC(C3=C(C=CC(=C3C2)OC)OC)O

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2C[C@H](C3=C(C=CC(=C3C2)OC)OC)O

InChI

InChI=1S/C19H28N2O3S/c1-12-6-4-5-7-14(12)20-19(25)21-10-13-16(23-2)8-9-17(24-3)18(13)15(22)11-21/h8-9,12,14-15,22H,4-7,10-11H2,1-3H3,(H,20,25)/t12-,14-,15+/m0/s1