N-(1,3-benzodioxol-5-yl)-3-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClN3O4S/c1-26-8-7-24-16-4-2-13(21)10-15(16)23-20(24)29-9-6-19(25)22-14-3-5-17-18(11-14)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)