N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylthio)butyramide Formula: C26H33N3O3S2 MolecularWeight: 499.68852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C26H33N3O3S2/c1-20-6-9-22(10-7-20)33-18-3-5-25(30)29(13-4-12-28-14-16-32-17-15-28)26-27-23-19-21(31-2)8-11-24(23)34-26/h6-11,19H,3-5,12-18H2,1-2H3