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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolyl)thio]propionamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C21H19N3OS2/c1-12-8-9-17-18(10-12)27-21(23-17)24-20(25)14(3)26-19-11-13(2)15-6-4-5-7-16(15)22-19/h4-11,14H,1-3H3,(H,23,24,25)