N-(2-aminophenyl)-6-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[1-(piperonylamino)ethyl]benzothiophene-2-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(S2)C(=O)NC3=CC=CC=C3N)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(S2)C(=O)NC3=CC=CC=C3N)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O3S/c1-15(27-13-16-6-9-21-22(10-16)31-14-30-21)17-7-8-18-12-24(32-23(18)11-17)25(29)28-20-5-3-2-4-19(20)26/h2-12,15,27H,13-14,26H2,1H3,(H,28,29)