1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-nitrophenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(4-nitrophenyl)-3-(piperonyloylamino)thiourea Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O5S/c20-14(9-1-6-12-13(7-9)24-8-23-12)17-18-15(25)16-10-2-4-11(5-3-10)19(21)22/h1-7H,8H2,(H,17,20)(H2,16,18,25)