(2R)-N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenyl-propionamide Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S2/c1-13(18(24)22(11-5-10-20)14-6-3-2-4-7-14)27-19-21-16-9-8-15(23(25)26)12-17(16)28-19/h2-4,6-9,12-13H,5,11H2,1H3/t13-/m1/s1