N-[2-[3-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O4S/c1-2-20-7-5-6-15-29(20)25(31)18-35-24-17-28(23-9-4-3-8-22(23)24)16-14-27-26(32)19-10-12-21(13-11-19)30(33)34/h3-4,8-13,17,20H,2,5-7,14-16,18H2,1H3,(H,27,32)