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

Systemtic Name: 1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-thiourea Openeye Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-methyl-thiourea CAS Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-methylthiourea IUPAC Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-methylthiourea Traditional Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-methyl-thiourea Formula: C10H10BrN3O2S MolecularWeight: 316.1743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10BrN3O2S/c1-12-10(17)14-13-4-6-2-8-9(3-7(6)11)16-5-15-8/h2-4H,5H2,1H3,(H2,12,14,17)/b13-4+