(2R)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2R)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide CAS Name: (2R)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C22H26N4O4S2/c1-14(2)12-13-26-21(28)18-6-4-5-7-19(18)25-22(26)31-15(3)20(27)24-16-8-10-17(11-9-16)32(23,29)30/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H2,23,29,30)/t15-/m1/s1