1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(3-methylphenyl)ethyl]thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(3-methylphenyl)ethyl]thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(m-tolyl)ethyl]thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(3-methylphenyl)ethyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(3-methylphenyl)ethyl]thiourea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-[2-(m-tolyl)ethyl]thiourea Formula: C28H28FN3O3S MolecularWeight: 505.603623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C28H28FN3O3S/c1-18-5-4-6-19(13-18)11-12-32(28(36)30-23-9-7-22(29)8-10-23)17-21-14-20-15-25(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)