1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(piperonyloylamino)thiourea Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N4O6S/c1-24-13-7-10(20(22)23)3-4-11(13)17-16(27)19-18-15(21)9-2-5-12-14(6-9)26-8-25-12/h2-7H,8H2,1H3,(H,18,21)(H2,17,19,27)