6-(4-methyl-1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole

Systemtic Name: 6-(4-methyl-1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole Openeye Name: 2-(1-ethylpropylsulfanyl)-6-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole CAS Name: 6-(4-methyl-1,4-diazepan-1-yl)-2-(pentan-3-ylthio)-1H-benzimidazole IUPAC Name: 6-(4-methyl-1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole Traditional Name: 2-(1-ethylpropylthio)-6-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole Formula: C18H28N4S MolecularWeight: 332.50672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCCN(CC3)C

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCCN(CC3)C

InChI

InChI=1S/C18H28N4S/c1-4-15(5-2)23-18-19-16-8-7-14(13-17(16)20-18)22-10-6-9-21(3)11-12-22/h7-8,13,15H,4-6,9-12H2,1-3H3,(H,19,20)