3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C21H20N4OS2/c1-13-6-7-17-18(10-13)28-21(24-17)25-19(26)8-9-27-20-15(12-22)11-14-4-2-3-5-16(14)23-20/h6-7,10-11H,2-5,8-9H2,1H3,(H,24,25,26)