1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-ethyl-3-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-ethyl-3-nitro-benzylidene)amino]-3-piperonyl-thiourea Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-2-14-5-3-12(7-15(14)22(23)24)10-20-21-18(27)19-9-13-4-6-16-17(8-13)26-11-25-16/h3-8,10H,2,9,11H2,1H3,(H2,19,21,27)/b20-10-