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

Systemtic Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]thiourea CAS Name: 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]thiourea Traditional Name: 1-benzyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]thiourea Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=S)NCC4=CC=CC=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=S)NCC4=CC=CC=C4)OC)OC)OC

InChI

InChI=1S/C28H29N3O4S/c1-32-24-13-19-10-11-29-23(21(19)15-26(24)34-3)12-20-14-25(33-2)27(35-4)16-22(20)31-28(36)30-17-18-8-6-5-7-9-18/h5-11,13-16H,12,17H2,1-4H3,(H2,30,31,36)