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

Systemtic Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4S/c1-2-3-13-12(21)15-14-6-8-4-10-11(20-7-19-10)5-9(8)16(17)18/h2,4-6H,1,3,7H2,(H2,13,15,21)/b14-6-