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

Systemtic Name: 1-butyl-3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(3-chloro-4-fluoro-phenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(3-chloro-4-fluorophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(3-chloro-4-fluorophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-3-(3-chloro-4-fluoro-phenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C20H20ClFN4OS MolecularWeight: 418.915403

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN4OS/c1-2-3-10-26(20(28)23-13-8-9-16(22)15(21)11-13)12-18-24-17-7-5-4-6-14(17)19(27)25-18/h4-9,11H,2-3,10,12H2,1H3,(H,23,28)(H,24,25,27)