1-(3-bromophenyl)-3-[2-[2-(4-cyanophenyl)benzimidazol-1-yl]ethanoylamino]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[2-[2-(4-cyanophenyl)benzimidazol-1-yl]ethanoylamino]thiourea Openeye Name: 1-(3-bromophenyl)-3-[[2-[2-(4-cyanophenyl)benzimidazol-1-yl]acetyl]amino]thiourea CAS Name: 1-(3-bromophenyl)-3-[[2-[2-(4-cyanophenyl)-1-benzimidazolyl]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[[2-[2-(4-cyanophenyl)benzimidazol-1-yl]acetyl]amino]thiourea Traditional Name: 1-(3-bromophenyl)-3-[[2-[2-(4-cyanophenyl)benzimidazol-1-yl]acetyl]amino]thiourea Formula: C23H17BrN6OS MolecularWeight: 505.38968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(=O)NNC(=S)NC3=CC(=CC=C3)Br)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC(=O)NNC(=S)NC3=CC(=CC=C3)Br)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17BrN6OS/c24-17-4-3-5-18(12-17)26-23(32)29-28-21(31)14-30-20-7-2-1-6-19(20)27-22(30)16-10-8-15(13-25)9-11-16/h1-12H,14H2,(H,28,31)(H2,26,29,32)