N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

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