N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-(4-chloro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-(4-chloro-N-mesyl-anilino)acetamide Formula: C18H18ClN3O3S3 MolecularWeight: 456.00182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3S3/c1-28(24,25)22(14-8-6-13(19)7-9-14)12-17(23)20-10-11-26-18-21-15-4-2-3-5-16(15)27-18/h2-9H,10-12H2,1H3,(H,20,23)