2-(1H-benzimidazol-2-ylsulfanyl)-N1-[(2S)-4-methylpentan-2-yl]-N4-phenyl-benzene-1,4-diamine

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N1-[(2S)-4-methylpentan-2-yl]-N4-phenyl-benzene-1,4-diamine Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N1-[(1S)-1,3-dimethylbutyl]-N4-phenyl-benzene-1,4-diamine CAS Name: 2-(1H-benzimidazol-2-ylthio)-N1-[(2S)-4-methylpentan-2-yl]-N4-phenylbenzene-1,4-diamine IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-N-[(2S)-4-methylpentan-2-yl]-4-N-phenylbenzene-1,4-diamine Traditional Name: [4-anilino-2-(1H-benzimidazol-2-ylthio)phenyl]-[(1S)-1,3-dimethylbutyl]amine Formula: C25H28N4S MolecularWeight: 416.58162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](CC(C)C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H28N4S/c1-17(2)15-18(3)26-23-14-13-20(27-19-9-5-4-6-10-19)16-24(23)30-25-28-21-11-7-8-12-22(21)29-25/h4-14,16-18,26-27H,15H2,1-3H3,(H,28,29)/t18-/m0/s1