4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-13-8-14(2)10-16(9-13)28-7-6-22(3)19(24)12-29-18-5-4-15(20(21)25)11-17(18)23(26)27/h4-5,8-11H,6-7,12H2,1-3H3,(H2,21,25)