2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C30H33N5O4S2 MolecularWeight: 591.74412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C30H33N5O4S2/c31-41(38,39)25-12-9-22(10-13-25)15-16-32-28(36)21-40-30-33-27-14-11-24(34-17-5-2-6-18-34)19-26(27)29(37)35(30)20-23-7-3-1-4-8-23/h1,3-4,7-14,19H,2,5-6,15-18,20-21H2,(H,32,36)(H2,31,38,39)