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

Systemtic Name: N-[(2-fluorophenyl)methyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-fluorobenzyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3F)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3F)NC1=S

InChI

InChI=1S/C20H20FN3O3S/c1-27-10-4-9-24-19(26)15-8-7-13(11-17(15)23-20(24)28)18(25)22-12-14-5-2-3-6-16(14)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,25)(H,23,28)