3-methyl-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-propan-2-yl-butanamide

Systemtic Name: 3-methyl-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-propan-2-yl-butanamide Openeye Name: N-isopropyl-3-methyl-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: 3-methyl-2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-N-propan-2-ylbutanamide IUPAC Name: 3-methyl-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanyl-N-propan-2-ylbutanamide Traditional Name: N-isopropyl-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]-3-methyl-butyramide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C)SCC(=O)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC(C)C)SCC(=O)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c1-10(2)15(16(21)17-11(3)4)24-9-14(20)18-12-7-5-6-8-13(12)19(22)23/h5-8,10-11,15H,9H2,1-4H3,(H,17,21)(H,18,20)