2-(1-adamantyl)-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC5=C(S4)C=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC5=C(S4)C=CC=C5Cl

InChI

InChI=1S/C20H22ClN3OS2/c21-14-2-1-3-15-17(14)23-19(27-15)24-18(26)22-16(25)10-20-7-11-4-12(8-20)6-13(5-11)9-20/h1-3,11-13H,4-10H2,(H2,22,23,24,25,26)