N-(1-adamantyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(N4)C=C(C=C5)OC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(N4)C=C(C=C5)OC

InChI

InChI=1S/C21H27N3O2S/c1-12(27-20-22-17-4-3-16(26-2)8-18(17)23-20)19(25)24-21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,22,23)(H,24,25)