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

Systemtic Name: methyl 2-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]thio]-3-[(2-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]-3-(2-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O4S/c1-14(20(29)27-24(2,3)4)33-23-26-19-12-15(22(31)32-5)10-11-17(19)21(30)28(23)13-16-8-6-7-9-18(16)25/h6-12,14H,13H2,1-5H3,(H,27,29)