(phenylmethyl) N-[2-[(2-nitro-5-phenylsulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[(2-nitro-5-phenylsulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-(2-nitro-5-phenylsulfanyl-anilino)-2-oxo-ethyl]carbamate CAS Name: N-[2-[2-nitro-5-(phenylthio)anilino]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(2-nitro-5-phenylsulfanylanilino)-2-oxoethyl]carbamate Traditional Name: N-[2-keto-2-[2-nitro-5-(phenylthio)anilino]ethyl]carbamic acid benzyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=C(C=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=C(C=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c26-21(14-23-22(27)30-15-16-7-3-1-4-8-16)24-19-13-18(11-12-20(19)25(28)29)31-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,23,27)(H,24,26)