N-[3,4-bis(fluoranyl)phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,4-difluorophenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-difluorophenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-difluorophenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3,4-difluorophenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H17F2N3O3S MolecularWeight: 405.418386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F)NC1=S

InChI

InChI=1S/C19H17F2N3O3S/c1-27-8-2-7-24-18(26)13-5-3-11(9-16(13)23-19(24)28)17(25)22-12-4-6-14(20)15(21)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,25)(H,23,28)