6-chloranyl-2-(2,2-dimethyloxan-4-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole

Systemtic Name: 6-chloranyl-2-(2,2-dimethyloxan-4-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole Openeye Name: 6-chloro-2-(2,2-dimethyltetrahydropyran-4-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole CAS Name: 6-chloro-2-[(2,2-dimethyl-4-oxanyl)thio]-5-(1-piperazinyl)-1H-benzimidazole IUPAC Name: 6-chloro-2-(2,2-dimethyloxan-4-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole Traditional Name: 6-chloro-2-[(2,2-dimethyltetrahydropyran-4-yl)thio]-5-piperazino-1H-benzimidazole Formula: C18H25ClN4OS MolecularWeight: 380.9353

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4)C

Isomeric SMILES

CC1(CC(CCO1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4)C

InChI

InChI=1S/C18H25ClN4OS/c1-18(2)11-12(3-8-24-18)25-17-21-14-9-13(19)16(10-15(14)22-17)23-6-4-20-5-7-23/h9-10,12,20H,3-8,11H2,1-2H3,(H,21,22)