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

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-ethoxybenzamide Traditional Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-ethoxy-benzamide Formula: C28H27N3O5S MolecularWeight: 517.59608

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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)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H27N3O5S/c1-2-34-21-10-7-19(8-11-21)28(33)29-13-14-31-16-26(22-5-3-4-6-23(22)31)37-17-27(32)30-20-9-12-24-25(15-20)36-18-35-24/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,29,33)(H,30,32)