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

Systemtic Name: methyl 2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-3-[(2-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4S/c1-4-14(2)25-20(28)13-32-23-26-19-11-15(22(30)31-3)9-10-17(19)21(29)27(23)12-16-7-5-6-8-18(16)24/h5-11,14H,4,12-13H2,1-3H3,(H,25,28)