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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)C)C

InChI

InChI=1S/C21H18ClN3OS2/c1-11-6-13(3)20-15(7-11)12(2)8-19(25-20)27-10-18(26)24-21-23-16-5-4-14(22)9-17(16)28-21/h4-9H,10H2,1-3H3,(H,23,24,26)