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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)OC

InChI

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