N-[2-[4-[[2-butyl-4-oxidanylidene-6-(propan-2-ylcarbamoylamino)quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[2-[4-[[2-butyl-4-oxidanylidene-6-(propan-2-ylcarbamoylamino)quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylbenzamide Openeye Name: N-[2-[4-[[2-butyl-6-(isopropylcarbamoylamino)-4-oxo-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylbenzamide CAS Name: N-[2-[4-[[2-butyl-4-oxo-6-[[oxo-(propan-2-ylamino)methyl]amino]-3-quinazolinyl]methyl]phenyl]phenyl]sulfonylbenzamide IUPAC Name: N-[2-[4-[[2-butyl-4-oxo-6-(propan-2-ylcarbamoylamino)quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylbenzamide Traditional Name: N-[2-[4-[[2-butyl-6-(isopropylcarbamoylamino)-4-keto-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylbenzamide Formula: C36H37N5O5S MolecularWeight: 651.77448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H37N5O5S/c1-4-5-15-33-39-31-21-20-28(38-36(44)37-24(2)3)22-30(31)35(43)41(33)23-25-16-18-26(19-17-25)29-13-9-10-14-32(29)47(45,46)40-34(42)27-11-7-6-8-12-27/h6-14,16-22,24H,4-5,15,23H2,1-3H3,(H,40,42)(H2,37,38,44)