1-butyl-3-(3-fluoranyl-4-methyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-butyl-3-(3-fluoranyl-4-methyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(3-fluoro-4-methyl-phenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(3-fluoro-4-methylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(3-fluoro-4-methylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-3-(3-fluoro-4-methyl-phenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H23FN4OS/c1-3-4-11-26(21(28)23-15-10-9-14(2)17(22)12-15)13-19-24-18-8-6-5-7-16(18)20(27)25-19/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,28)(H,24,25,27)