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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C21H25ClN2OS2/c22-16-1-2-18-17(8-16)24-20(27-18)26-12-19(25)23-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,23,25)