1-(1,3-benzodioxol-5-yl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-methyl-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(2-methyl-3-nitro-benzoyl)amino]thiourea Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N4O5S/c1-9-11(3-2-4-12(9)20(22)23)15(21)18-19-16(26)17-10-5-6-13-14(7-10)25-8-24-13/h2-7H,8H2,1H3,(H,18,21)(H2,17,19,26)