3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]thiourea Openeye Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(o-tolyl)ethyl]thiourea CAS Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]thiourea IUPAC Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]thiourea Traditional Name: 3-(3-chlorophenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-[2-(o-tolyl)ethyl]thiourea Formula: C28H28ClN3O3S MolecularWeight: 522.05822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H28ClN3O3S/c1-18-7-4-5-8-19(18)11-12-32(28(36)30-23-10-6-9-22(29)15-23)17-21-13-20-14-25(34-2)26(35-3)16-24(20)31-27(21)33/h4-10,13-16H,11-12,17H2,1-3H3,(H,30,36)(H,31,33)