3-chloranyl-N-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC)OC

InChI

InChI=1S/C21H21ClN2O5S/c1-27-14-9-16(29-3)15(28-2)8-12(14)10-23-18(25)11-24-21(26)20-19(22)13-6-4-5-7-17(13)30-20/h4-9H,10-11H2,1-3H3,(H,23,25)(H,24,26)