7-[(2-fluorophenyl)methylcarbamoyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(2-fluorophenyl)methylcarbamoyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(2-fluorophenyl)methylcarbamoyl]-3-(2-furylmethyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[[(2-fluorophenyl)methylamino]-oxomethyl]-3-(2-furanylmethyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(2-fluorophenyl)methylcarbamoyl]-3-(furan-2-ylmethyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(2-fluorobenzyl)carbamoyl]-3-(2-furfuryl)-2-thioxo-quinazolin-4-olate Formula: C21H15FN3O3S- MolecularWeight: 408.425503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=CO4)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=CO4)F

InChI

InChI=1S/C21H16FN3O3S/c22-17-6-2-1-4-14(17)11-23-19(26)13-7-8-16-18(10-13)24-21(29)25(20(16)27)12-15-5-3-9-28-15/h1-10,27H,11-12H2,(H,23,26)/p-1