(2S)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptyl-propanamide

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptyl-propanamide Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptyl-propanamide CAS Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptyl-propionamide Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N3OS/c1-12(16(21)19-13-8-4-2-3-5-9-13)18-17-20-14-10-6-7-11-15(14)22-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1