N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-[2-[3-[[2-keto-2-(piperonylamino)ethyl]thio]indol-1-yl]ethyl]benzamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H29N3O5S/c1-2-35-22-10-8-21(9-11-22)29(34)30-13-14-32-17-27(23-5-3-4-6-24(23)32)38-18-28(33)31-16-20-7-12-25-26(15-20)37-19-36-25/h3-12,15,17H,2,13-14,16,18-19H2,1H3,(H,30,34)(H,31,33)