3-(2-fluorophenyl)-7-[(4-methylcyclohexyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2-fluorophenyl)-7-[(4-methylcyclohexyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(2-fluorophenyl)-7-[(4-methylcyclohexyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-(2-fluorophenyl)-7-[[(4-methylcyclohexyl)amino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2-fluorophenyl)-7-[(4-methylcyclohexyl)carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-fluorophenyl)-7-[(4-methylcyclohexyl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H21FN3O2S- MolecularWeight: 410.484443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4F

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O2S/c1-13-6-9-15(10-7-13)24-20(27)14-8-11-16-18(12-14)25-22(29)26(21(16)28)19-5-3-2-4-17(19)23/h2-5,8,11-13,15,28H,6-7,9-10H2,1H3,(H,24,27)/p-1