N-(1-adamantyl)-2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C23H30ClN3O2S MolecularWeight: 448.0212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(N4CCOC)C=CC(=C5)Cl

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(N4CCOC)C=CC(=C5)Cl

InChI

InChI=1S/C23H30ClN3O2S/c1-14(21(28)26-23-11-15-7-16(12-23)9-17(8-15)13-23)30-22-25-19-10-18(24)3-4-20(19)27(22)5-6-29-2/h3-4,10,14-17H,5-9,11-13H2,1-2H3,(H,26,28)