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

Systemtic Name: N-[2-[3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-keto-2-(p-phenetidino)ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5S/c1-2-36-22-13-9-20(10-14-22)29-26(32)18-37-25-17-30(24-6-4-3-5-23(24)25)16-15-28-27(33)19-7-11-21(12-8-19)31(34)35/h3-14,17H,2,15-16,18H2,1H3,(H,28,33)(H,29,32)