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

Systemtic Name: methyl 4-oxidanylidene-3-[4-oxidanylidene-4-(1-phenylethylamino)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[4-oxo-4-(1-phenylethylamino)butyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[4-oxo-4-(1-phenylethylamino)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[4-oxo-4-(1-phenylethylamino)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-keto-4-(1-phenylethylamino)butyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C22H23N3O4S/c1-14(15-7-4-3-5-8-15)23-19(26)9-6-12-25-20(27)17-11-10-16(21(28)29-2)13-18(17)24-22(25)30/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,23,26)(H,24,30)