3-chloranyl-N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(3,4-dipropoxyphenyl)furazan-3-yl]benzothiophene-2-carboxamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OCCC

InChI

InChI=1S/C23H22ClN3O4S/c1-3-11-29-16-10-9-14(13-17(16)30-12-4-2)20-22(27-31-26-20)25-23(28)21-19(24)15-7-5-6-8-18(15)32-21/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27,28)