1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-piperonyl-thiourea Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O4S/c16-11-3-2-10(19(20)21)6-12(11)18-15(24)17-7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8H2,(H2,17,18,24)