2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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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)