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

Systemtic Name: [2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-3-nitro-1-phenyl-indol-6-yl] ethanoate Openeye Name: [2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-3-nitro-1-phenyl-indol-6-yl] acetate CAS Name: acetic acid [2-[[[anilino(phenylimino)methyl]thio]methyl]-3-nitro-1-phenyl-6-indolyl] ester IUPAC Name: [2-[(N,N'-diphenylcarbamimidoyl)sulfanylmethyl]-3-nitro-1-phenylindol-6-yl] acetate Traditional Name: acetic acid [2-[[(N,N'-diphenylamidino)thio]methyl]-3-nitro-1-phenyl-indol-6-yl] ester Formula: C30H24N4O4S MolecularWeight: 536.60096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H24N4O4S/c1-21(35)38-25-17-18-26-27(19-25)33(24-15-9-4-10-16-24)28(29(26)34(36)37)20-39-30(31-22-11-5-2-6-12-22)32-23-13-7-3-8-14-23/h2-19H,20H2,1H3,(H,31,32)