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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C20H18N4OS2/c1-12(18(25)24-20-23-16-8-4-5-9-17(16)27-20)26-19-14(11-21)10-13-6-2-3-7-15(13)22-19/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,23,24,25)