N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]thiophene-2-carboxamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O4S2/c1-13-8-9-16(24(27)28)12-18(13)23-20(25)14(2)30-17-6-3-5-15(11-17)22-21(26)19-7-4-10-29-19/h3-12,14H,1-2H3,(H,22,26)(H,23,25)