4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[4-(1-pyrrolyl)phenyl]ethyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]thiophene-2-carboxamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O4S/c1-17(19-4-6-20(7-5-19)27-10-2-3-11-27)26-25(28)24-12-18(15-32-24)14-29-21-8-9-22-23(13-21)31-16-30-22/h2-13,15,17H,14,16H2,1H3,(H,26,28)