N-[(2S)-1-[[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C24H37N4O2S+ MolecularWeight: 445.64118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C[NH+]2CCCCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C[NH+]2CCCCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H36N4O2S/c1-16(25-22(30)24-11-17-8-18(12-24)10-19(9-17)13-24)21(29)27-23-26-20(15-31-23)14-28-6-4-2-3-5-7-28/h15-19H,2-14H2,1H3,(H,25,30)(H,26,27,29)/p+1/t16-,17?,18?,19?,24?/m0/s1