(phenylmethyl) N-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]carbamate

Systemtic Name: (phenylmethyl) N-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]carbamate Openeye Name: benzyl N-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]carbamate CAS Name: N-[[2-[(cyclohexylamino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]carbamate Traditional Name: N-[[2-(cyclohexylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]carbamic acid benzyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)CNC(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)CNC(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H35N3O4S/c1-32-24-15-20-13-14-30(26(35)29-21-11-7-4-8-12-21)23(22(20)16-25(24)33-2)17-28-27(31)34-18-19-9-5-3-6-10-19/h3,5-6,9-10,15-16,21,23H,4,7-8,11-14,17-18H2,1-2H3,(H,28,31)(H,29,35)