N-[3-methyl-1-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O4S2/c1-13(2)20(26-22(29)24-10-14-6-15(11-24)8-16(7-14)12-24)21(28)27-23-25-18-5-4-17(33(3,30)31)9-19(18)32-23/h4-5,9,13-16,20H,6-8,10-12H2,1-3H3,(H,26,29)(H,25,27,28)