1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-nitrophenyl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-nitrophenyl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitroanilino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitroanilino)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitroanilino)thiourea Traditional Name: 1-(3-nitroanilino)-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)NNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c20-19(21)12-3-1-2-11(7-12)17-18-15(24)16-8-10-4-5-13-14(6-10)23-9-22-13/h1-7,17H,8-9H2,(H2,16,18,24)