3-nitro-4-[2-oxidanylidene-2-[(3-propan-2-ylphenyl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(3-propan-2-ylphenyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(3-isopropylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-(3-isopropylanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-11(2)12-4-3-5-14(8-12)20-17(22)10-26-16-7-6-13(18(19)23)9-15(16)21(24)25/h3-9,11H,10H2,1-2H3,(H2,19,23)(H,20,22)