N-[4-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[1-methyl-2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]cyclopropanecarboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H21N3O4S/c1-12-11-16(23(26)27)7-10-18(12)22-19(24)13(2)28-17-8-5-15(6-9-17)21-20(25)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,21,25)(H,22,24)