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

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-keto-butyl]adamantane-1-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H27N3O2S/c26-19(25-21-24-17-4-1-2-5-18(17)28-21)6-3-7-23-20(27)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-2,4-5,14-16H,3,6-13H2,(H,23,27)(H,24,25,26)