7-[ethyl(thiophen-2-ylmethyl)carbamoyl]-3-(2-fluorophenyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[ethyl(thiophen-2-ylmethyl)carbamoyl]-3-(2-fluorophenyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[ethyl(2-thienylmethyl)carbamoyl]-3-(2-fluorophenyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[[ethyl(thiophen-2-ylmethyl)amino]-oxomethyl]-3-(2-fluorophenyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[ethyl(thiophen-2-ylmethyl)carbamoyl]-3-(2-fluorophenyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[ethyl(2-thenyl)carbamoyl]-3-(2-fluorophenyl)-2-thioxo-quinazolin-4-olate Formula: C22H17FN3O2S2- MolecularWeight: 438.517683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4F

Isomeric SMILES

CCN(CC1=CC=CS1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C22H18FN3O2S2/c1-2-25(13-15-6-5-11-30-15)20(27)14-9-10-16-18(12-14)24-22(29)26(21(16)28)19-8-4-3-7-17(19)23/h3-12,28H,2,13H2,1H3/p-1