1-(4-azanyl-3-nitro-phenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-piperonyl-thiourea Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4S/c16-11-3-2-10(6-12(11)19(20)21)18-15(24)17-7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8,16H2,(H2,17,18,24)