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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=S)NCC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)/C)[N+](=O)[O-]

InChI

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