1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-32-23-12-8-7-11-21(23)29-27(35)30(16-18-9-5-4-6-10-18)17-20-13-19-14-24(33-2)25(34-3)15-22(19)28-26(20)31/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,35)