2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H21N3O4S/c1-12-7-8-15(13(2)9-12)20-18(23)10-27-11-19(24)21-16-5-4-6-17(14(16)3)22(25)26/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,24)