2-[[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19N3O5S/c1-12-3-2-4-14(7-12)20-18(24)11-27-10-17(23)19-9-13-8-15(21(25)26)5-6-16(13)22/h2-8,22H,9-11H2,1H3,(H,19,23)(H,20,24)/p-1