N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C23H23N3OS2 MolecularWeight: 421.57822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C23H23N3OS2/c1-13-5-6-18-19(11-13)29-23(24-18)25-20(27)7-8-28-21-12-15(3)17-10-14(2)9-16(4)22(17)26-21/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,27)