7-(3-butoxypropylcarbamoyl)-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(3-butoxypropylcarbamoyl)-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(3-butoxypropylcarbamoyl)-3-isobutyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(3-butoxypropylamino)-oxomethyl]-3-(2-methylpropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(3-butoxypropylcarbamoyl)-3-(2-methylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(3-butoxypropylcarbamoyl)-3-isobutyl-2-thioxo-quinazolin-4-olate Formula: C20H28N3O3S- MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(C)C

Isomeric SMILES

CCCCOCCCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(C)C

InChI

InChI=1S/C20H29N3O3S/c1-4-5-10-26-11-6-9-21-18(24)15-7-8-16-17(12-15)22-20(27)23(19(16)25)13-14(2)3/h7-8,12,14,25H,4-6,9-11,13H2,1-3H3,(H,21,24)/p-1