1-(1,3-benzodioxol-5-ylmethyl)-3-(5-nitro-2-oxidanyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxy-5-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxy-5-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxy-5-nitrophenyl)thiourea Traditional Name: 1-(2-hydroxy-5-nitro-phenyl)-3-piperonyl-thiourea Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H13N3O5S/c19-12-3-2-10(18(20)21)6-11(12)17-15(24)16-7-9-1-4-13-14(5-9)23-8-22-13/h1-6,19H,7-8H2,(H2,16,17,24)