N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2S/c1-13(2)19(20(27)26-22-24-17-5-3-4-6-18(17)29-22)25-21(28)23-10-14-7-15(11-23)9-16(8-14)12-23/h3-6,13-16,19H,7-12H2,1-2H3,(H,25,28)(H,24,26,27)/t14?,15?,16?,19-,23?/m1/s1