N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Openeye Name: N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide CAS Name: N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Traditional Name: N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O2S/c1-11-3-16(7-17-18(11)24-20(27-17)22-12(2)25)23-19(26)21-8-13-4-14(9-21)6-15(5-13)10-21/h3,7,13-15H,4-6,8-10H2,1-2H3,(H,23,26)(H,22,24,25)