N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2S/c1-14(21(27)26(2)13-20-25-18-5-3-4-6-19(18)29-20)24-22(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-13H2,1-2H3,(H,24,28)/t14-,15?,16?,17?,23?/m0/s1