1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-nitrophenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-nitrobenzylidene)amino]-3-piperonyl-thiourea Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c21-20(22)13-4-1-11(2-5-13)9-18-19-16(25)17-8-12-3-6-14-15(7-12)24-10-23-14/h1-7,9H,8,10H2,(H2,17,19,25)/b18-9-