N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(1-ethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-ethyl-2-[(1-ethylbenzimidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N(CC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N(CC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c1-3-23(12-15-9-10-18-19(11-15)27-14-26-18)20(25)13-28-21-22-16-7-5-6-8-17(16)24(21)4-2/h5-11H,3-4,12-14H2,1-2H3