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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC=CC=C2N=C1SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCN1C2=CC=CC=C2N=C1SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O5S/c1-28-10-9-25-16-5-3-2-4-15(16)23-21(25)31-11-8-19(26)24-20(27)22-14-6-7-17-18(12-14)30-13-29-17/h2-7,12H,8-11,13H2,1H3,(H2,22,24,26,27)