1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloranyl-5-nitro-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloranyl-5-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloro-5-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(2-chloro-5-nitro-benzylidene)amino]-3-piperonyl-thiourea Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O4S/c17-13-3-2-12(21(22)23)6-11(13)8-19-20-16(26)18-7-10-1-4-14-15(5-10)25-9-24-14/h1-6,8H,7,9H2,(H2,18,20,26)/b19-8-