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

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

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3CCOC)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3CCOC)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-12(19(25)22-14-4-6-17-18(10-14)28-11-27-17)29-20-23-15-9-13(21)3-5-16(15)24(20)7-8-26-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,25)