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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H20ClN3OS2 MolecularWeight: 441.9967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3OS2/c1-12-8-14(3)21-16(9-12)13(2)10-20(26-21)28-7-6-19(27)25-22-24-17-5-4-15(23)11-18(17)29-22/h4-5,8-11H,6-7H2,1-3H3,(H,24,25,27)