[4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]phenyl] 2-(2-phenylazanylphenyl)ethanoate

Systemtic Name: [4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]phenyl] 2-(2-phenylazanylphenyl)ethanoate Openeye Name: [4-[[methyl-(2-methyl-2-nitrososulfanyl-propyl)amino]methyl]phenyl] 2-(2-anilinophenyl)acetate CAS Name: 2-(2-anilinophenyl)acetic acid [4-[[methyl-[2-methyl-2-(nitrosothio)propyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[methyl-(2-methyl-2-nitrososulfanylpropyl)amino]methyl]phenyl] 2-(2-anilinophenyl)acetate Traditional Name: 2-(2-anilinophenyl)acetic acid [4-[[methyl-[2-methyl-2-(nitrosothio)propyl]amino]methyl]phenyl] ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(C)CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2NC3=CC=CC=C3)SN=O

Isomeric SMILES

CC(C)(CN(C)CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2NC3=CC=CC=C3)SN=O

InChI

InChI=1S/C26H29N3O3S/c1-26(2,33-28-31)19-29(3)18-20-13-15-23(16-14-20)32-25(30)17-21-9-7-8-12-24(21)27-22-10-5-4-6-11-22/h4-16,27H,17-19H2,1-3H3