1-(4-bromophenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]thiourea CAS Name: 1-(4-bromophenyl)-3-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[(E)-C-phenyl-N-tosyl-carbonimidoyl]thiourea Formula: C21H18BrN3O2S2 MolecularWeight: 488.42052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O2S2/c1-15-7-13-19(14-8-15)29(26,27)25-20(16-5-3-2-4-6-16)24-21(28)23-18-11-9-17(22)10-12-18/h2-14H,1H3,(H2,23,24,25,28)