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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C22H21N3OS2/c1-12-5-6-17-18(9-12)28-22(23-17)24-19(26)11-27-20-10-14(3)16-8-13(2)7-15(4)21(16)25-20/h5-10H,11H2,1-4H3,(H,23,24,26)