N-(3-nitrophenyl)-3-[3-[(3-nitrophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(3-nitrophenyl)-3-[3-[(3-nitrophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(3-nitroanilino)-3-oxo-propyl]sulfanyl-N-(3-nitrophenyl)propanamide CAS Name: 3-[[3-(3-nitroanilino)-3-oxopropyl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-[3-(3-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: 3-[[3-keto-3-(3-nitroanilino)propyl]thio]-N-(3-nitrophenyl)propionamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c23-17(19-13-3-1-5-15(11-13)21(25)26)7-9-29-10-8-18(24)20-14-4-2-6-16(12-14)22(27)28/h1-6,11-12H,7-10H2,(H,19,23)(H,20,24)