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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C21H20N4OS2/c1-12-7-8-16-14(9-12)10-15(11-22)20(23-16)27-13(2)19(26)25-21-24-17-5-3-4-6-18(17)28-21/h3-6,10,12-13H,7-9H2,1-2H3,(H,24,25,26)