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

Systemtic Name: 3-ethyl-7-[2-(2-methylpropanoylamino)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[2-(2-methylpropanoylamino)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[2-(2-methylpropanoylamino)ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[2-(isobutyrylamino)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C17H21N4O3S- MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCNC(=O)C(C)C)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCNC(=O)C(C)C)[O-]

InChI

InChI=1S/C17H22N4O3S/c1-4-21-16(24)12-6-5-11(9-13(12)20-17(21)25)15(23)19-8-7-18-14(22)10(2)3/h5-6,9-10,24H,4,7-8H2,1-3H3,(H,18,22)(H,19,23)/p-1