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

Systemtic Name: N-[1-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(1,3-benzothiazol-2-yl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCCC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O2S/c1-15(2)22(23(29)26-8-7-21-27-19-5-3-4-6-20(19)31-21)28-24(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,15-18,22H,7-14H2,1-2H3,(H,26,29)(H,28,30)