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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C21H22FN3O3S/c1-23-21(29)25(11-13-4-6-16(22)7-5-13)12-15-8-14-9-18(27-2)19(28-3)10-17(14)24-20(15)26/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,26)