1-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[2-(2-keto-5,8-dimethoxy-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c1-27-17-7-8-18(28-2)19-16(17)11-14(20(26)25-19)9-10-23-21(29)24-12-13-3-5-15(22)6-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,25,26)(H2,23,24,29)