1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)thiourea Traditional Name: 1-(2-hydroxyethyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CCO)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CCO)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C22H25N3O5S/c1-28-17-6-4-16(5-7-17)23-22(31)25(8-9-26)13-15-10-14-11-19(29-2)20(30-3)12-18(14)24-21(15)27/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,23,31)(H,24,27)