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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-methyl-3-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-methyl-3-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-methyl-3-nitro-benzylidene)amino]-3-piperonyl-thiourea Formula: C17H16N4O4S MolecularWeight: 372.39834

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-11-2-3-12(6-14(11)21(22)23)9-19-20-17(26)18-8-13-4-5-15-16(7-13)25-10-24-15/h2-7,9H,8,10H2,1H3,(H2,18,20,26)/b19-9-