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

Systemtic Name: methyl 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C26H30N4O6S2 MolecularWeight: 558.6696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCCC3)CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCCC3)CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H30N4O6S2/c1-36-25(33)18-9-12-21-22(15-18)29-26(37-16-23(31)28-19-5-3-2-4-6-19)30(24(21)32)14-13-17-7-10-20(11-8-17)38(27,34)35/h7-12,15,19H,2-6,13-14,16H2,1H3,(H,28,31)(H2,27,34,35)