N'-[4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenyl]thiophene-2-carboxamidine CAS Name: N'-[4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-[2-(piperonylamino)ethyl]phenyl]thiophene-2-carboxamidine Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

InChI=1S/C21H21N3O2S/c22-21(20-2-1-11-27-20)24-17-6-3-15(4-7-17)9-10-23-13-16-5-8-18-19(12-16)26-14-25-18/h1-8,11-12,23H,9-10,13-14H2,(H2,22,24)