1-(4-azanyl-3-nitro-phenyl)-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S2/c1-4-22(5-2)29(26,27)14-8-6-12(3)16(11-14)21-18(28)20-13-7-9-15(19)17(10-13)23(24)25/h6-11H,4-5,19H2,1-3H3,(H2,20,21,28)