N-(1-adamantyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-acetamide CAS Name: N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-ethylacetamide IUPAC Name: N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethylacetamide Traditional Name: N-(1-adamantyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-ethyl-acetamide Formula: C21H25ClN2OS2 MolecularWeight: 421.019

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25ClN2OS2/c1-2-24(21-9-13-5-14(10-21)7-15(6-13)11-21)19(25)12-26-20-23-17-8-16(22)3-4-18(17)27-20/h3-4,8,13-15H,2,5-7,9-12H2,1H3