1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C21H24N6O4S2 MolecularWeight: 488.58306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H24N6O4S2/c1-4-27(5-2)33(30,31)14-11-10-13(3)17(12-14)22-21(32)26-25-20(29)18-15-8-6-7-9-16(15)19(28)24-23-18/h6-12H,4-5H2,1-3H3,(H,24,28)(H,25,29)(H2,22,26,32)