methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-2-[[2-oxo-2-(propylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[[2-keto-2-(propylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN3O4S/c1-3-10-24-19(27)13-31-22-25-18-11-14(21(29)30-2)8-9-16(18)20(28)26(22)12-15-6-4-5-7-17(15)23/h4-9,11H,3,10,12-13H2,1-2H3,(H,24,27)