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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-26-13-7-11(8-14(27-2)17(13)28-3)20-16(22)9-29-15-5-4-10(18(19)23)6-12(15)21(24)25/h4-8H,9H2,1-3H3,(H2,19,23)(H,20,22)