1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-naphthalen-1-yl-thiourea

Systemtic Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-naphthalen-1-yl-thiourea Openeye Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-(1-naphthyl)thiourea CAS Name: 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-(1-naphthalenyl)thiourea IUPAC Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-naphthalen-1-ylthiourea Traditional Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-(1-naphthyl)thiourea Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=S)NC4=CC=CC5=CC=CC=C54)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=S)NC4=CC=CC5=CC=CC=C54)OC)OC)OC

InChI

InChI=1S/C31H29N3O4S/c1-35-27-15-20-12-13-32-26(23(20)17-29(27)37-3)14-21-16-28(36-2)30(38-4)18-25(21)34-31(39)33-24-11-7-9-19-8-5-6-10-22(19)24/h5-13,15-18H,14H2,1-4H3,(H2,33,34,39)