N-(3-fluoranyl-4-methyl-phenyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)F

InChI

InChI=1S/C21H16FN3O3S/c1-12-4-6-14(10-17(12)22)23-19(26)13-5-7-16-18(9-13)24-21(29)25(20(16)27)11-15-3-2-8-28-15/h2-10H,11H2,1H3,(H,23,26)(H,24,29)