4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-propyl-2-benzimidazolyl)-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O4S/c1-2-9-26-18-6-4-3-5-17(18)24-23(26)25-22(27)21-10-15(13-31-21)12-28-16-7-8-19-20(11-16)30-14-29-19/h3-8,10-11,13H,2,9,12,14H2,1H3,(H,24,25,27)