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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C20H22ClN3O2S2 MolecularWeight: 435.99058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S2/c21-14-1-2-16-15(6-14)22-19(28-16)27-10-17(25)23-18(26)24-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13H,3-5,7-10H2,(H2,23,24,25,26)