7-[(4-ethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(4-ethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(4-ethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-ethylanilino)-oxomethyl]-3-(3-methoxypropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-ethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-ethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-thioxo-quinazolin-4-olate Formula: C21H22N3O3S- MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CCCOC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CCCOC

InChI

InChI=1S/C21H23N3O3S/c1-3-14-5-8-16(9-6-14)22-19(25)15-7-10-17-18(13-15)23-21(28)24(20(17)26)11-4-12-27-2/h5-10,13,26H,3-4,11-12H2,1-2H3,(H,22,25)/p-1