N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C26H21N3OS2 MolecularWeight: 455.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

InChI

InChI=1S/C26H21N3OS2/c1-16-7-12-22-23(13-16)32-26(29-22)18-8-10-19(11-9-18)27-24(30)15-31-25-14-17(2)20-5-3-4-6-21(20)28-25/h3-14H,15H2,1-2H3,(H,27,30)