3-chloranyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzothiophene-2-carboxamide Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

InChI

InChI=1S/C20H16ClN3O3S2/c1-26-13-8-7-11(9-14(13)27-2)10-16-23-24-20(29-16)22-19(25)18-17(21)12-5-3-4-6-15(12)28-18/h3-9H,10H2,1-2H3,(H,22,24,25)