3-ethyl-7-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[2-(4-methoxyphenyl)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCC3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCC3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-3-23-19(25)16-9-6-14(12-17(16)22-20(23)27)18(24)21-11-10-13-4-7-15(26-2)8-5-13/h4-9,12,25H,3,10-11H2,1-2H3,(H,21,24)/p-1