1-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-(4-nitrophenyl)thiourea Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=O)CCC2=CC(=C(C=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC(=O)CCC2=CC(=C(C=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c21-13-7-1-10(9-14(13)22)2-8-15(23)18-19-16(26)17-11-3-5-12(6-4-11)20(24)25/h1,3-7,9,21-22H,2,8H2,(H,18,23)(H2,17,19,26)