N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide

Systemtic Name: N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide Openeye Name: N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide CAS Name: N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide IUPAC Name: N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Traditional Name: N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)OC)OC

InChI

InChI=1S/C24H23N3O4S2/c1-29-19-9-6-16(22(30-2)23(19)31-3)11-21(28)26-17-7-8-18-20(12-17)33-24(27-18)32-14-15-5-4-10-25-13-15/h4-10,12-13H,11,14H2,1-3H3,(H,26,28)