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

Systemtic Name: 3-(3-ethoxypropyl)-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-ethoxypropyl)-N-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-ethoxypropyl)-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-ethoxypropyl)-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-ethoxypropyl)-N-(4-fluorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC1=S

InChI

InChI=1S/C21H22FN3O3S/c1-2-28-11-3-10-25-20(27)17-9-6-15(12-18(17)24-21(25)29)19(26)23-13-14-4-7-16(22)8-5-14/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,26)(H,24,29)