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

Systemtic Name: 1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]thiourea CAS Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]thiourea Traditional Name: 1-benzyl-3-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]thiourea Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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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)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N5O4S2/c1-15-8-10-19(16(2)12-15)26-33(30,31)21-13-18(27(28)29)9-11-20(21)24-25-22(32)23-14-17-6-4-3-5-7-17/h3-13,24,26H,14H2,1-2H3,(H2,23,25,32)