N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(2-methylthiazol-4-yl)phenyl]methylamino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(2-methyl-4-thiazolyl)phenyl]methylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[[4-(2-methylthiazol-4-yl)benzyl]amino]butyl]adamantane-1-carboxamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33N3O2S/c1-17-29-23(16-32-17)22-6-4-18(5-7-22)15-28-24(30)3-2-8-27-25(31)26-12-19-9-20(13-26)11-21(10-19)14-26/h4-7,16,19-21H,2-3,8-15H2,1H3,(H,27,31)(H,28,30)