5-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-veratryl-thiophene-2-carboxamide Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H18N2O3S2/c1-25-15-8-7-13(11-16(15)26-2)12-22-20(24)18-9-10-19(27-18)21-23-14-5-3-4-6-17(14)28-21/h3-11H,12H2,1-2H3,(H,22,24)