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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-p-phenetyl-thiourea Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H16N4O5S/c1-2-24-13-5-3-12(4-6-13)19-17(27)20-18-9-11-7-15-16(26-10-25-15)8-14(11)21(22)23/h3-9H,2,10H2,1H3,(H2,19,20,27)/b18-9-