N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(3-fluoroanilino)-2-keto-ethyl]-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H15FN4O3S MolecularWeight: 386.400103

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C18H15FN4O3S/c1-23(9-15(24)20-12-4-2-3-11(19)8-12)17(26)10-5-6-13-14(7-10)21-18(27)22-16(13)25/h2-8H,9H2,1H3,(H,20,24)(H2,21,22,25,27)