3,6-bis(chloranyl)-N-[3-methoxy-4-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[3-methoxy-4-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[3-methoxy-4-(pentanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[3-methoxy-4-(1-oxopentylamino)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[3-methoxy-4-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[3-methoxy-4-(valerylamino)phenyl]benzothiophene-2-carboxamide Formula: C21H20Cl2N2O3S MolecularWeight: 451.3661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C21H20Cl2N2O3S/c1-3-4-5-18(26)25-15-9-7-13(11-16(15)28-2)24-21(27)20-19(23)14-8-6-12(22)10-17(14)29-20/h6-11H,3-5H2,1-2H3,(H,24,27)(H,25,26)