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

Systemtic Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methoxy-phenyl]-3-(4-methoxyphenyl)thiourea Formula: C21H20BrN3O4S2 MolecularWeight: 522.4352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H20BrN3O4S2/c1-28-17-9-7-15(8-10-17)23-21(30)24-19-12-11-18(13-20(19)29-2)31(26,27)25-16-5-3-14(22)4-6-16/h3-13,25H,1-2H3,(H2,23,24,30)