1-[(Z)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-butyl-thiourea

Systemtic Name: 1-[(Z)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-butyl-thiourea Openeye Name: 1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-butyl-thiourea CAS Name: 1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-butylthiourea IUPAC Name: 1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-butylthiourea Traditional Name: 1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-butyl-thiourea Formula: C13H16BrN3O2S MolecularWeight: 358.25404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C13H16BrN3O2S/c1-2-3-4-15-13(20)17-16-7-9-5-11-12(6-10(9)14)19-8-18-11/h5-7H,2-4,8H2,1H3,(H2,15,17,20)/b16-7-