N-(4-methyl-2-nitro-phenyl)-3-[3-[(4-methyl-2-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-3-[3-[(4-methyl-2-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(4-methyl-2-nitro-anilino)-3-oxo-propyl]sulfanyl-N-(4-methyl-2-nitro-phenyl)propanamide CAS Name: 3-[[3-(4-methyl-2-nitroanilino)-3-oxopropyl]thio]-N-(4-methyl-2-nitrophenyl)propanamide IUPAC Name: 3-[3-(4-methyl-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methyl-2-nitrophenyl)propanamide Traditional Name: 3-[[3-keto-3-(4-methyl-2-nitro-anilino)propyl]thio]-N-(4-methyl-2-nitro-phenyl)propionamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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