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

Systemtic Name: N-[2-[(2-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(2-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(2-chlorophenyl)methylthio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(2-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(2-chlorobenzyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C23H19ClN2O3S2 MolecularWeight: 470.99156

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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=C4Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4Cl)OC

InChI

InChI=1S/C23H19ClN2O3S2/c1-28-19-10-7-14(11-20(19)29-2)22(27)25-16-8-9-18-21(12-16)31-23(26-18)30-13-15-5-3-4-6-17(15)24/h3-12H,13H2,1-2H3,(H,25,27)