N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H27N3OS2/c1-15-2-7-21-22(8-15)32-23(28-21)19-3-5-20(6-4-19)27-25(31)29-24(30)26-12-16-9-17(13-26)11-18(10-16)14-26/h2-8,16-18H,9-14H2,1H3,(H2,27,29,30,31)