2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole

Systemtic Name: 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole Openeye Name: 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole CAS Name: 2-[(1,3-diazacyclopentadec-2-en-2-ylthio)methyl]-1H-benzimidazole IUPAC Name: 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole Traditional Name: 2-[(1,3-diazacyclopentadec-2-en-2-ylthio)methyl]-1H-benzimidazole Formula: C21H32N4S MolecularWeight: 372.57058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCN=C(NCCCCC1)SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1CCCCCCN=C(NCCCCC1)SCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H32N4S/c1-2-4-6-8-12-16-23-21(22-15-11-7-5-3-1)26-17-20-24-18-13-9-10-14-19(18)25-20/h9-10,13-14H,1-8,11-12,15-17H2,(H,22,23)(H,24,25)