N-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=NC(=CS4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=NC(=CS4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H29N3O4S/c29-22(28-24-27-19(13-33-24)18-3-4-20-21(9-18)32-14-31-20)2-1-5-26-23(30)25-10-15-6-16(11-25)8-17(7-15)12-25/h3-4,9,13,15-17H,1-2,5-8,10-12,14H2,(H,26,30)(H,27,28,29)