2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]propanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]propanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O5S/c1-13-3-7-16(8-4-13)22-19(25)12-29-14(2)20(26)21-11-18(24)15-5-9-17(10-6-15)23(27)28/h3-10,14,18,24H,11-12H2,1-2H3,(H,21,26)(H,22,25)