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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C20H16ClN3OS2 MolecularWeight: 413.94354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3OS2/c1-12-10-19(22-15-5-3-2-4-14(12)15)26-9-8-18(25)24-20-23-16-7-6-13(21)11-17(16)27-20/h2-7,10-11H,8-9H2,1H3,(H,23,24,25)