3,4-dimethoxy-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S2/c1-27-19-11-8-16(12-20(19)28-2)22(26)24-17-9-10-18-21(13-17)30-23(25-18)29-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,26)