1-[2-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[2-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-3-phenethyl-thiourea Openeye Name: 1-[2-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-3-phenethyl-thiourea CAS Name: 1-[2-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-3-phenethylthiourea IUPAC Name: 1-[2-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-3-phenethylthiourea Traditional Name: 1-[2-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-3-phenethyl-thiourea Formula: C22H22BrN3O2S2 MolecularWeight: 504.46298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O2S2/c1-16-7-12-20(25-22(29)24-14-13-17-5-3-2-4-6-17)21(15-16)30(27,28)26-19-10-8-18(23)9-11-19/h2-12,15,26H,13-14H2,1H3,(H2,24,25,29)