6-chloranyl-5-(4-methyl-1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole

Systemtic Name: 6-chloranyl-5-(4-methyl-1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole CAS Name: 6-chloro-5-(4-methyl-1,4-diazepan-1-yl)-2-(pentan-3-ylthio)-1H-benzimidazole IUPAC Name: 6-chloro-5-(4-methyl-1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole Formula: C18H27ClN4S MolecularWeight: 366.95178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCN(CC3)C

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCN(CC3)C

InChI

InChI=1S/C18H27ClN4S/c1-4-13(5-2)24-18-20-15-11-14(19)17(12-16(15)21-18)23-8-6-7-22(3)9-10-23/h11-13H,4-10H2,1-3H3,(H,20,21)