3-chloranyl-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(veratrylamino)ethyl]benzothiophene-2-carboxamide Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-26-14-8-7-12(9-15(14)27-2)10-22-17(24)11-23-20(25)19-18(21)13-5-3-4-6-16(13)28-19/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)