N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-isopentyl-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-(3-methylbutyl)-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-isoamyl-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]adamantane-1-carboxamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3O2S/c1-14(2)4-5-25(13-19(26)24-21-23-12-15(3)28-21)20(27)22-9-16-6-17(10-22)8-18(7-16)11-22/h12,14,16-18H,4-11,13H2,1-3H3,(H,23,24,26)