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

Systemtic Name: N-[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[(2-methyl-1,3-benzothiazol-6-yl)amino]propyl]adamantane-1-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2S/c1-13-24-18-3-2-17(9-19(18)28-13)25-20(26)4-5-23-21(27)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,23,27)(H,25,26)