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

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-oxidanylpropyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-hydroxypropyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-hydroxypropyl)thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-hydroxypropyl)thiourea Traditional Name: 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCO)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCO)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O2S/c1-14-4-5-15(2)20-19(14)12-16(21(28)25-20)13-26(10-3-11-27)22(29)24-18-8-6-17(23)7-9-18/h4-9,12,27H,3,10-11,13H2,1-2H3,(H,24,29)(H,25,28)