1-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(4-methyl-3-nitro-benzoyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(4-methyl-3-nitrobenzoyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(4-methyl-3-nitro-benzoyl)amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H17N7O5S2 MolecularWeight: 487.51218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O5S2/c1-12-3-4-13(11-16(12)26(28)29)17(27)23-24-19(32)22-14-5-7-15(8-6-14)33(30,31)25-18-20-9-2-10-21-18/h2-11H,1H3,(H,23,27)(H,20,21,25)(H2,22,24,32)