[4-[[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-[(4-acetamidophenyl)sulfonylamino]-2-quinoxalinyl]amino]phenyl] ester IUPAC Name: [4-[[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] ester Formula: C23H18N6O3S2 MolecularWeight: 490.55742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)SC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C23H18N6O3S2/c1-15(30)25-16-8-12-19(13-9-16)34(31,32)29-23-22(27-20-4-2-3-5-21(20)28-23)26-17-6-10-18(11-7-17)33-14-24/h2-13H,1H3,(H,25,30)(H,26,27)(H,28,29)