1-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiourea CAS Name: 1-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiourea Formula: C13H15Br2N3O2S MolecularWeight: 437.1501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NCC=C)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NCC=C)Br)Br

InChI

InChI=1S/C13H15Br2N3O2S/c1-3-4-16-13(21)18-17-11(19)7-20-12-8(2)5-9(14)6-10(12)15/h3,5-6H,1,4,7H2,2H3,(H,17,19)(H2,16,18,21)