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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

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