3-(4-bromanyl-3-methyl-phenyl)-1-methyl-1-pentyl-thiourea

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-1-methyl-1-pentyl-thiourea Openeye Name: 3-(4-bromo-3-methyl-phenyl)-1-methyl-1-pentyl-thiourea CAS Name: 3-(4-bromo-3-methylphenyl)-1-methyl-1-pentylthiourea IUPAC Name: 3-(4-bromo-3-methylphenyl)-1-methyl-1-pentylthiourea Traditional Name: 1-amyl-3-(4-bromo-3-methyl-phenyl)-1-methyl-thiourea Formula: C14H21BrN2S MolecularWeight: 329.29894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)C(=S)NC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCCCN(C)C(=S)NC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C14H21BrN2S/c1-4-5-6-9-17(3)14(18)16-12-7-8-13(15)11(2)10-12/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)