2-(2-phenylethenylsulfonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(2-phenylethenylsulfonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-styrylsulfonyl-acetamide CAS Name: 2-(2-phenylethenylsulfonyl)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(2-phenylethenylsulfonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]-2-styrylsulfonyl-acetamide Formula: C23H19N3O3S3 MolecularWeight: 481.61026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CS(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C=CS(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H19N3O3S3/c27-22(16-32(28,29)12-10-17-5-2-1-3-6-17)25-19-8-9-20-21(13-19)31-23(26-20)30-15-18-7-4-11-24-14-18/h1-14H,15-16H2,(H,25,27)