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

Systemtic Name: 7-[(2-fluorophenyl)methylcarbamoyl]-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(2-fluorophenyl)methylcarbamoyl]-3-isobutyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[(2-fluorophenyl)methylamino]-oxomethyl]-3-(2-methylpropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(2-fluorophenyl)methylcarbamoyl]-3-(2-methylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(2-fluorobenzyl)carbamoyl]-3-isobutyl-2-thioxo-quinazolin-4-olate Formula: C20H19FN3O2S- MolecularWeight: 384.447163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CC=CC=C3F)[O-]

Isomeric SMILES

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C20H20FN3O2S/c1-12(2)11-24-19(26)15-8-7-13(9-17(15)23-20(24)27)18(25)22-10-14-5-3-4-6-16(14)21/h3-9,12,26H,10-11H2,1-2H3,(H,22,25)/p-1