1-(4-bromanyl-2-methyl-phenyl)-3-butyl-thiourea

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3-butyl-thiourea Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-butyl-thiourea CAS Name: 1-(4-bromo-2-methylphenyl)-3-butylthiourea IUPAC Name: 1-(4-bromo-2-methylphenyl)-3-butylthiourea Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-butyl-thiourea Formula: C12H17BrN2S MolecularWeight: 301.24578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCCNC(=S)NC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C12H17BrN2S/c1-3-4-7-14-12(16)15-11-6-5-10(13)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)