[4-(thiophen-2-ylcarbonylamino)phenyl] 3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C24H21N3O5S2 MolecularWeight: 495.57064

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)NC1=S

InChI

InChI=1S/C24H21N3O5S2/c1-31-12-3-11-27-22(29)18-10-5-15(14-19(18)26-24(27)33)23(30)32-17-8-6-16(7-9-17)25-21(28)20-4-2-13-34-20/h2,4-10,13-14H,3,11-12H2,1H3,(H,25,28)(H,26,33)