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

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C22H22N4O2S2/c1-2-28-16-7-8-18-19(12-16)30-22(25-18)26-20(27)9-10-29-21-15(13-23)11-14-5-3-4-6-17(14)24-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,25,26,27)