2-(1-adamantyl)-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C21H24ClN3O2S2 MolecularWeight: 450.01716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H24ClN3O2S2/c1-27-16-6-17-15(5-14(16)22)23-20(29-17)25-19(28)24-18(26)10-21-7-11-2-12(8-21)4-13(3-11)9-21/h5-6,11-13H,2-4,7-10H2,1H3,(H2,23,24,25,26,28)