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

Systemtic Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-1-methyl-thiourea Openeye Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-1-methyl-thiourea CAS Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-1-methylthiourea IUPAC Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-1-methylthiourea Traditional Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-1-methyl-thiourea Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N)N=CCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(C(=S)N)/N=C/CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H15N3O2S/c1-15(12(13)18)14-6-2-3-9-4-5-10-11(7-9)17-8-16-10/h4-7H,2-3,8H2,1H3,(H2,13,18)/b14-6+