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

Systemtic Name: 1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-phenyl-thiourea Openeye Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-phenyl-thiourea CAS Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-phenylthiourea IUPAC Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-phenylthiourea Traditional Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-phenyl-thiourea Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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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)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N5O4S2/c1-14-8-10-18(15(2)12-14)25-32(29,30)20-13-17(26(27)28)9-11-19(20)23-24-21(31)22-16-6-4-3-5-7-16/h3-13,23,25H,1-2H3,(H2,22,24,31)