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

Systemtic Name: N-[3-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c22-15-1-2-16-17(8-15)28-20(24-16)25-18(26)3-4-23-19(27)21-9-12-5-13(10-21)7-14(6-12)11-21/h1-2,8,12-14H,3-7,9-11H2,(H,23,27)(H,24,25,26)