N-(2-methyl-5-nitro-phenyl)-3-[3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(2-methyl-5-nitro-anilino)-3-oxo-propyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[[3-(2-methyl-5-nitroanilino)-3-oxopropyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[3-(2-methyl-5-nitroanilino)-3-oxopropyl]sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[[3-keto-3-(2-methyl-5-nitro-anilino)propyl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c1-13-3-5-15(23(27)28)11-17(13)21-19(25)7-9-31-10-8-20(26)22-18-12-16(24(29)30)6-4-14(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,26)