1-(2,4-dimethylphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-10-3-4-13(11(2)5-10)19-17(26)20-18-8-12-6-15-16(25-9-24-15)7-14(12)21(22)23/h3-8H,9H2,1-2H3,(H2,19,20,26)/b18-8-