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

Systemtic Name: N-[(2S)-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]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)C(C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2S/c1-12(20(26)25-17-3-4-18-19(8-17)28-13(2)24-18)23-21(27)22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,12,14-16H,5-7,9-11H2,1-2H3,(H,23,27)(H,25,26)/t12-,14?,15?,16?,22?/m0/s1