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

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16FN3O2S2 MolecularWeight: 389.466943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O2S2/c19-14-4-2-1-3-12(14)10-26-8-7-20-16(23)11-5-6-13-15(9-11)21-18(25)22-17(13)24/h1-6,9H,7-8,10H2,(H,20,23)(H2,21,22,24,25)