1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(3,4-dimethylphenyl)thiourea Formula: C22H22BrN3O3S2 MolecularWeight: 520.46238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)OC)C

InChI

InChI=1S/C22H22BrN3O3S2/c1-14-4-7-18(12-15(14)2)24-22(30)25-20-11-10-19(13-21(20)29-3)31(27,28)26-17-8-5-16(23)6-9-17/h4-13,26H,1-3H3,(H2,24,25,30)