methyl 3-[[3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]benzoate CAS Name: 3-[[[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]benzoate Traditional Name: 3-[[4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carbonyl]amino]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC)NC1=S

InChI

InChI=1S/C21H21N3O5S/c1-28-10-4-9-24-19(26)16-8-7-13(12-17(16)23-21(24)30)18(25)22-15-6-3-5-14(11-15)20(27)29-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,22,25)(H,23,30)