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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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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=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C24H19N3O3S2/c1-29-20-10-7-15(11-21(20)30-2)23(28)26-18-8-9-19-22(12-18)32-24(27-19)31-14-17-6-4-3-5-16(17)13-25/h3-12H,14H2,1-2H3,(H,26,28)