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

Systemtic Name: methyl 4-oxidanylidene-3-[2-oxidanylidene-2-(2-phenylpropylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-oxo-2-(2-phenylpropylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(2-phenylpropylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[2-oxo-2-(2-phenylpropylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(2-phenylpropylamino)ethyl]-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(CNC(=O)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)C3=CC=CC=C3

InChI

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