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

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-oxidanylpropyl)thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-hydroxypropyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-hydroxypropyl)thiourea IUPAC Name: 1-[(6,7-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-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=C(C=C3)F)C

InChI

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