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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C18H14ClN3OS2 MolecularWeight: 387.90626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H14ClN3OS2/c19-13-7-8-16-15(11-13)21-18(25-16)24-12-17(23)22(10-4-9-20)14-5-2-1-3-6-14/h1-3,5-8,11H,4,10,12H2