N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4S/c1-3-25-14-5-6-15-16(9-14)23-20(22-15)28-12(2)19(24)21-10-13-4-7-17-18(8-13)27-11-26-17/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)(H,22,23)