methyl 3-butyl-2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[1-methyl-2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[1-(4-methylanilino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[2-keto-1-methyl-2-(p-toluidino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C24H27N3O4S/c1-5-6-13-27-22(29)19-12-9-17(23(30)31-4)14-20(19)26-24(27)32-16(3)21(28)25-18-10-7-15(2)8-11-18/h7-12,14,16H,5-6,13H2,1-4H3,(H,25,28)