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

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2-methoxy-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2-methoxy-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-methoxybenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide Traditional Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-2-methoxy-benzamide Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O5S/c1-33-22-9-5-3-7-20(22)27(32)28-12-13-30-15-25(19-6-2-4-8-21(19)30)36-16-26(31)29-18-10-11-23-24(14-18)35-17-34-23/h2-11,14-15H,12-13,16-17H2,1H3,(H,28,32)(H,29,31)