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

Systemtic Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)NC(=S)N/N=C\C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C12H14N4O4S/c1-7(2)14-12(21)15-13-5-8-3-10-11(20-6-19-10)4-9(8)16(17)18/h3-5,7H,6H2,1-2H3,(H2,14,15,21)/b13-5-