N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]thio]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]thio]ethyl]-piperonylamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC5=C(C=C4)OCO5

InChI

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