N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Openeye Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide CAS Name: N-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide IUPAC Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide Traditional Name: N-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Formula: C26H24N4OS2 MolecularWeight: 472.62496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H24N4OS2/c1-26(2,3)17-10-8-16(9-11-17)24(31)27-18-12-13-21-22(14-18)33-25(30-21)32-15-23-28-19-6-4-5-7-20(19)29-23/h4-14H,15H2,1-3H3,(H,27,31)(H,28,29)