1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)-1-propyl-thiourea

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)-1-propyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-fluoro-4-methyl-phenyl)-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1-propylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-fluoro-4-methylphenyl)-1-propylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(3-fluoro-4-methyl-phenyl)-1-propyl-thiourea Formula: C20H20ClFN4OS MolecularWeight: 418.915403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC(=C(C=C3)C)F

InChI

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