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

Systemtic Name: N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

InChI

InChI=1S/C27H23N3O2S2/c1-3-32-20-11-12-23-24(15-20)34-27(30-23)18-7-6-8-19(14-18)28-25(31)16-33-26-13-17(2)21-9-4-5-10-22(21)29-26/h4-15H,3,16H2,1-2H3,(H,28,31)