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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C22H22N4O2S2/c1-3-18(29-21-14(12-23)10-13-6-4-5-7-16(13)24-21)20(27)26-22-25-17-9-8-15(28-2)11-19(17)30-22/h8-11,18H,3-7H2,1-2H3,(H,25,26,27)