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

Systemtic Name: 1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C12H12BrN3O2S/c1-2-3-14-12(19)16-15-6-8-4-10-11(5-9(8)13)18-7-17-10/h2,4-6H,1,3,7H2,(H2,14,16,19)/b15-6+