N-[2-(4-sulfamoylphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide

Systemtic Name: N-[2-(4-sulfamoylphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Openeye Name: N-[2-(4-sulfamoylphenyl)ethyl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Traditional Name: N-[2-(4-sulfamoylphenyl)ethyl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H27N5O3S2/c23-32(29,30)17-11-9-16(10-12-17)13-15-24-20(28)8-2-1-5-14-25-21-18-6-3-4-7-19(18)26-22(31)27-21/h3-4,6-7,9-12H,1-2,5,8,13-15H2,(H,24,28)(H2,23,29,30)(H2,25,26,27,31)