3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-isopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-N-isoamyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19ClFN3O2S MolecularWeight: 419.900163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFN3O2S/c1-11(2)7-8-23-18(26)12-3-5-14-17(9-12)24-20(28)25(19(14)27)13-4-6-16(22)15(21)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,23,26)(H,24,28)