N-(4-methoxyphenyl)-4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-4-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-4-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C25H24N4O6S2 MolecularWeight: 540.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O6S2/c1-16(2)15-28-24(30)20-6-4-5-7-21(20)26-25(28)36-23-13-12-19(14-22(23)29(31)32)37(33,34)27-17-8-10-18(35-3)11-9-17/h4-14,16,27H,15H2,1-3H3