methyl 4-oxidanylidene-3-[3-oxidanylidene-3-(1-phenylethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[3-oxidanylidene-3-(1-phenylethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[3-oxo-3-(1-phenylethylamino)propyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[3-oxo-3-(1-phenylethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[3-oxo-3-(1-phenylethylamino)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[3-keto-3-(1-phenylethylamino)propyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C21H21N3O4S/c1-13(14-6-4-3-5-7-14)22-18(25)10-11-24-19(26)16-9-8-15(20(27)28-2)12-17(16)23-21(24)29/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,29)