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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(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)CCSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C21H19N3OS2/c1-13-7-8-17-18(11-13)27-21(23-17)24-19(25)9-10-26-20-12-14(2)15-5-3-4-6-16(15)22-20/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)