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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-benzyl-3-(4-fluorophenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H24FN3O3S/c1-32-23-13-18-12-19(25(31)29-22(18)14-24(23)33-2)16-30(15-17-6-4-3-5-7-17)26(34)28-21-10-8-20(27)9-11-21/h3-14H,15-16H2,1-2H3,(H,28,34)(H,29,31)