N-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C22H26ClN3O2S/c23-16-3-4-17-18(9-16)29-21(25-17)26-19(27)2-1-5-24-20(28)22-10-13-6-14(11-22)8-15(7-13)12-22/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,24,28)(H,25,26,27)