1-(4-methylphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(p-tolyl)thiourea Formula: C16H14N4O4S MolecularWeight: 358.37176

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-10-2-4-12(5-3-10)18-16(25)19-17-8-11-6-14-15(24-9-23-14)7-13(11)20(21)22/h2-8H,9H2,1H3,(H2,18,19,25)/b17-8+