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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-24-13-4-2-11(3-5-13)8-18-17(27)20-19-9-12-6-15-16(26-10-25-15)7-14(12)21(22)23/h2-7,9H,8,10H2,1H3,(H2,18,20,27)/b19-9-