(2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H30N4O2S/c1-14(27(2)13-20-24-18-5-3-4-6-19(18)30-20)21(28)25-22(29)26-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-13H2,1-2H3,(H2,25,26,28,29)/t14-,15?,16?,17?,23?/m1/s1