7-(furan-2-ylmethylcarbamoyl)-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(furan-2-ylmethylcarbamoyl)-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(2-furylmethylcarbamoyl)-3-isobutyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(2-furanylmethylamino)-oxomethyl]-3-(2-methylpropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(furan-2-ylmethylcarbamoyl)-3-(2-methylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(2-furfurylcarbamoyl)-3-isobutyl-2-thioxo-quinazolin-4-olate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CC=CO3)[O-]

Isomeric SMILES

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CC=CO3)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-11(2)10-21-17(23)14-6-5-12(8-15(14)20-18(21)25)16(22)19-9-13-4-3-7-24-13/h3-8,11,23H,9-10H2,1-2H3,(H,19,22)/p-1