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

Systemtic Name: methyl 4-oxidanylidene-3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-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:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-28-20(27)15-9-10-16-17(12-15)23-21(29)24(19(16)26)13-18(25)22-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,22,25)(H,23,29)