N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(2-morpholino-1,3-benzothiazol-6-yl)propanamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 2-(benzylthio)-N-(2-morpholino-1,3-benzothiazol-6-yl)propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-15(27-14-16-5-3-2-4-6-16)20(25)22-17-7-8-18-19(13-17)28-21(23-18)24-9-11-26-12-10-24/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)