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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-13-11-20(22-16-6-4-3-5-15(13)16)27-10-9-19(25)24-21-23-17-8-7-14(26-2)12-18(17)28-21/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)