N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-[(1-methyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(1-methylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(1-methylbenzimidazol-2-yl)thio]propionamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O4S/c1-23-14-5-3-2-4-13(14)21-19(23)28-9-8-17(24)22-18(25)20-12-6-7-15-16(10-12)27-11-26-15/h2-7,10H,8-9,11H2,1H3,(H2,20,22,24,25)