7-[(3,5-dimethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(3,5-dimethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(3,5-dimethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[(3,5-dimethylanilino)-oxomethyl]-3-(3-methoxypropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(3,5-dimethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(3,5-dimethylphenyl)carbamoyl]-3-(3-methoxypropyl)-2-thioxo-quinazolin-4-olate Formula: C21H22N3O3S- MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CCCOC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CCCOC)C

InChI

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