N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C24H31N3OS2 MolecularWeight: 441.65244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)CCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)CCCSC3=CC=CC=C3)C

InChI

InChI=1S/C24H31N3OS2/c1-18-13-14-21-23(19(18)2)25-24(30-21)27(16-9-15-26(3)4)22(28)12-8-17-29-20-10-6-5-7-11-20/h5-7,10-11,13-14H,8-9,12,15-17H2,1-4H3