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

Systemtic Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[2-(p-tolyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[2-(p-tolyl)-1H-indol-3-yl]thio]ethyl]-piperonylamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O3S/c1-16-6-8-17(9-7-16)23-24(19-4-2-3-5-20(19)27-23)31-13-12-26-25(28)18-10-11-21-22(14-18)30-15-29-21/h2-11,14,27H,12-13,15H2,1H3,(H,26,28)