(2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: (2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C19H16ClN3OS2 MolecularWeight: 401.93284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C19H16ClN3OS2/c1-13(25-19-22-16-12-14(20)8-9-17(16)26-19)18(24)23(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3/t13-/m1/s1