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

Systemtic Name: 1-[[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-phenyl]amino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitroanilino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[2-[(2,4-dimethylphenyl)sulfamoyl]-4-nitro-anilino]-3-(4-methoxyphenyl)thiourea Formula: C22H23N5O5S2 MolecularWeight: 501.57852

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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=C(C=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5S2/c1-14-4-10-19(15(2)12-14)26-34(30,31)21-13-17(27(28)29)7-11-20(21)24-25-22(33)23-16-5-8-18(32-3)9-6-16/h4-13,24,26H,1-3H3,(H2,23,25,33)