methyl 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(butylamino)-2-oxoethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[[2-(butylamino)-2-keto-ethyl]thio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C24H28N4O6S2 MolecularWeight: 532.63232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C24H28N4O6S2/c1-3-4-12-26-21(29)15-35-24-27-20-14-17(23(31)34-2)7-10-19(20)22(30)28(24)13-11-16-5-8-18(9-6-16)36(25,32)33/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,26,29)(H2,25,32,33)