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

Systemtic Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-3-ethyl-thiourea Openeye Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-3-ethyl-thiourea CAS Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-3-ethylthiourea IUPAC Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-3-ethylthiourea Traditional Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)propylideneamino]-3-ethyl-thiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-2-14-13(19)16-15-7-3-4-10-5-6-11-12(8-10)18-9-17-11/h5-8H,2-4,9H2,1H3,(H2,14,16,19)/b15-7+