N-[3-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-keto-propyl]thiophene-3-carboxamide Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=O)CCNC(=O)C2=CSC=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CNC(=O)CCNC(=O)C2=CSC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c20-14(11-1-3-13(4-2-11)19(23)24)9-18-15(21)5-7-17-16(22)12-6-8-25-10-12/h1-4,6,8,10,14,20H,5,7,9H2,(H,17,22)(H,18,21)