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

Systemtic Name: methyl 2-[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-(1-methyl-2-oxo-2-ureido-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]thio]-3-[(2-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[(2-keto-1-methyl-2-ureido-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O5S/c1-11(17(27)25-20(23)30)32-21-24-16-9-12(19(29)31-2)7-8-14(16)18(28)26(21)10-13-5-3-4-6-15(13)22/h3-9,11H,10H2,1-2H3,(H3,23,25,27,30)