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

Systemtic Name: N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(3-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(3-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C23H19BrN2O3S2 MolecularWeight: 515.44256

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O3S2/c1-28-19-9-6-15(11-20(19)29-2)22(27)25-17-7-8-18-21(12-17)31-23(26-18)30-13-14-4-3-5-16(24)10-14/h3-12H,13H2,1-2H3,(H,25,27)