methyl 3-[(2-chlorophenyl)methyl]-2-[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[[2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN4O5S/c1-12(18(28)26-21(31)24-2)33-22-25-17-10-13(20(30)32-3)8-9-15(17)19(29)27(22)11-14-6-4-5-7-16(14)23/h4-10,12H,11H2,1-3H3,(H2,24,26,28,31)