1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-piperonyl-thiourea Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c19-18(20)12-3-1-2-11(7-12)17-15(23)16-8-10-4-5-13-14(6-10)22-9-21-13/h1-7H,8-9H2,(H2,16,17,23)