1-(1,3-benzodioxol-5-yl)-3-[2-(2-nitrophenyl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-nitrophenyl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(2-nitrophenyl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(2-nitrophenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(2-nitrophenyl)acetyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(2-nitrophenyl)acetyl]amino]thiourea Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c21-15(7-10-3-1-2-4-12(10)20(22)23)18-19-16(26)17-11-5-6-13-14(8-11)25-9-24-13/h1-6,8H,7,9H2,(H,18,21)(H2,17,19,26)