N-(1-adamantylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-allylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-allylbenzimidazol-2-yl)thio]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O2S/c1-2-7-27-19-6-4-3-5-18(19)24-22(27)30-14-20(28)25-21(29)26-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-6,15-17H,1,7-14H2,(H2,25,26,28,29)