1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]thiourea

Systemtic Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]thiourea Openeye Name: [(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]thiourea CAS Name: [(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]thiourea IUPAC Name: [(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]thiourea Traditional Name: [(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]thiourea Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC=NNC(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC/C=N/NC(=S)N

InChI

InChI=1S/C11H13N3O2S/c12-11(17)14-13-5-1-2-8-3-4-9-10(6-8)16-7-15-9/h3-6H,1-2,7H2,(H3,12,14,17)/b13-5+