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

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2-methyl-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2-methyl-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-methylbenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide Traditional Name: N-[2-[3-[[2-keto-2-(piperonylamino)ethyl]thio]indol-1-yl]ethyl]-2-methyl-benzamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H27N3O4S/c1-19-6-2-3-7-21(19)28(33)29-12-13-31-16-26(22-8-4-5-9-23(22)31)36-17-27(32)30-15-20-10-11-24-25(14-20)35-18-34-24/h2-11,14,16H,12-13,15,17-18H2,1H3,(H,29,33)(H,30,32)