[2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-1-(4-methoxyphenyl)-3-nitro-indol-6-yl] ethanoate

Systemtic Name: [2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-1-(4-methoxyphenyl)-3-nitro-indol-6-yl] ethanoate Openeye Name: [2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-1-(4-methoxyphenyl)-3-nitro-indol-6-yl] acetate CAS Name: acetic acid [2-[[[anilino(phenylimino)methyl]thio]methyl]-1-(4-methoxyphenyl)-3-nitro-6-indolyl] ester IUPAC Name: [2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-1-(4-methoxyphenyl)-3-nitroindol-6-yl] acetate Traditional Name: acetic acid [2-[[(N,N'-diphenylamidino)thio]methyl]-1-(4-methoxyphenyl)-3-nitro-indol-6-yl] ester Formula: C31H26N4O5S MolecularWeight: 566.62694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=C(N2C3=CC=C(C=C3)OC)CSC(=NC4=CC=CC=C4)NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=C(N2C3=CC=C(C=C3)OC)CSC(=NC4=CC=CC=C4)NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H26N4O5S/c1-21(36)40-26-17-18-27-28(19-26)34(24-13-15-25(39-2)16-14-24)29(30(27)35(37)38)20-41-31(32-22-9-5-3-6-10-22)33-23-11-7-4-8-12-23/h3-19H,20H2,1-2H3,(H,32,33)