N-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-yl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(1,3-benzothiazol-2-yl)anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-yl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(1,3-benzothiazol-2-yl)anilino]-4-keto-butyl]adamantane-1-carboxamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=CC=C4C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=CC=C4C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H31N3O2S/c32-25(10-5-11-29-27(33)28-15-18-12-19(16-28)14-20(13-18)17-28)30-22-7-2-1-6-21(22)26-31-23-8-3-4-9-24(23)34-26/h1-4,6-9,18-20H,5,10-17H2,(H,29,33)(H,30,32)