1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C25H23FN4OS MolecularWeight: 446.539723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H23FN4OS/c1-16-10-17(2)22-12-19(24(31)29-23(22)11-16)15-30(14-18-4-3-9-27-13-18)25(32)28-21-7-5-20(26)6-8-21/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,31)