1-(2-hydroxyethyl)-7-methoxy-N-(4-methylphenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-(2-hydroxyethyl)-7-methoxy-N-(4-methylphenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6-benzyloxy-1-(2-hydroxyethyl)-7-methoxy-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-(2-hydroxyethyl)-7-methoxy-N-(4-methylphenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-(2-hydroxyethyl)-7-methoxy-N-(4-methylphenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6-benzoxy-1-(2-hydroxyethyl)-7-methoxy-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2CCO)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2CCO)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-19-8-10-22(11-9-19)28-27(33)29-14-12-21-16-26(32-18-20-6-4-3-5-7-20)25(31-2)17-23(21)24(29)13-15-30/h3-11,16-17,24,30H,12-15,18H2,1-2H3,(H,28,33)