4-[2-[1-(2-methoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-(2-methoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(2-methoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[1-(2-methoxyphenyl)ethyl-methyl-amino]ethyl]thio]-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)N(C)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1OC)N(C)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-12(14-6-4-5-7-16(14)27-3)21(2)18(23)11-28-17-9-8-13(19(20)24)10-15(17)22(25)26/h4-10,12H,11H2,1-3H3,(H2,20,24)