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

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(3,4-dichlorophenyl)methylthio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C23H18Cl2N2O3S2 MolecularWeight: 505.43662

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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(=C(C=C4)Cl)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H18Cl2N2O3S2/c1-29-19-8-4-14(10-20(19)30-2)22(28)26-15-5-7-18-21(11-15)32-23(27-18)31-12-13-3-6-16(24)17(25)9-13/h3-11H,12H2,1-2H3,(H,26,28)