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

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O6S/c31-25(28-18-7-10-22-23(13-18)36-16-35-22)15-37-24-14-29(21-4-2-1-3-20(21)24)12-11-27-26(32)17-5-8-19(9-6-17)30(33)34/h1-10,13-14H,11-12,15-16H2,(H,27,32)(H,28,31)