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

Systemtic Name: 1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-ethyl-thiourea CAS Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-ethylthiourea IUPAC Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-ethylthiourea Traditional Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-ethyl-thiourea Formula: C11H12BrN3O2S MolecularWeight: 330.20088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrN3O2S/c1-2-13-11(18)15-14-5-7-3-9-10(4-8(7)12)17-6-16-9/h3-5H,2,6H2,1H3,(H2,13,15,18)/b14-5+