N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl-(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl-(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(2-pyridylmethyl)amino]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(2-pyridinylmethyl)amino]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(2-pyridylmethyl)amino]ethyl]thiophene-2-carboxamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN(CCNC(=O)C3=CC=CS3)CC4=CC=CC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN(CCNC(=O)C3=CC=CS3)CC4=CC=CC=N4)Cl

InChI

InChI=1S/C21H20ClN3O3S/c22-17-11-19-18(27-14-28-19)10-15(17)12-25(13-16-4-1-2-6-23-16)8-7-24-21(26)20-5-3-9-29-20/h1-6,9-11H,7-8,12-14H2,(H,24,26)