1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-phenethyl-thiourea

Systemtic Name: 1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-phenethyl-thiourea Openeye Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-phenethyl-thiourea CAS Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-phenethylthiourea IUPAC Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-phenethylthiourea Traditional Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-phenethyl-thiourea Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N5O4S2/c1-16-8-10-20(17(2)14-16)27-34(31,32)22-15-19(28(29)30)9-11-21(22)25-26-23(33)24-13-12-18-6-4-3-5-7-18/h3-11,14-15,25,27H,12-13H2,1-2H3,(H2,24,26,33)