4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(cyclododecylideneamino)benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(cyclododecylideneamino)benzamide Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CCCCC1

InChI

InChI=1S/C27H34N4OS/c32-26(31-30-23-12-8-6-4-2-1-3-5-7-9-13-23)22-18-16-21(17-19-22)20-33-27-28-24-14-10-11-15-25(24)29-27/h10-11,14-19H,1-9,12-13,20H2,(H,28,29)(H,31,32)