3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea Formula: C12H14BrN3OS MolecularWeight: 328.22806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)N(CCC#N)CCO)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=S)N(CCC#N)CCO)Br

InChI

InChI=1S/C12H14BrN3OS/c13-10-2-4-11(5-3-10)15-12(18)16(8-9-17)7-1-6-14/h2-5,17H,1,7-9H2,(H,15,18)