1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea Traditional Name: 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H22FN3O2S/c1-13-3-4-15-11-16(20(27)24-19(15)14(13)2)12-25(9-10-26)21(28)23-18-7-5-17(22)6-8-18/h3-8,11,26H,9-10,12H2,1-2H3,(H,23,28)(H,24,27)