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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3OS2/c1-12-4-3-5-15-13(2)10-19(25-20(12)15)27-9-8-18(26)24-21-23-16-7-6-14(22)11-17(16)28-21/h3-7,10-11H,8-9H2,1-2H3,(H,23,24,26)