1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-isopropyl-thiourea CAS Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-isopropyl-thiourea Formula: C12H14BrN3O2S MolecularWeight: 344.22746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CC(C)NC(=S)N/N=C/C1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C12H14BrN3O2S/c1-7(2)15-12(19)16-14-5-8-3-10-11(4-9(8)13)18-6-17-10/h3-5,7H,6H2,1-2H3,(H2,15,16,19)/b14-5+