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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H14N4O5S/c1-23-12-4-2-3-11(6-12)18-16(26)19-17-8-10-5-14-15(25-9-24-14)7-13(10)20(21)22/h2-8H,9H2,1H3,(H2,18,19,26)/b17-8+