7-[(4-butoxycarbonylphenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(4-butoxycarbonylphenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(4-butoxycarbonylphenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-[butoxy(oxo)methyl]anilino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-butoxycarbonylphenyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-butoxycarbonylphenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C22H22N3O4S- MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC

InChI

InChI=1S/C22H23N3O4S/c1-3-5-12-29-21(28)14-6-9-16(10-7-14)23-19(26)15-8-11-17-18(13-15)24-22(30)25(4-2)20(17)27/h6-11,13,27H,3-5,12H2,1-2H3,(H,23,26)/p-1