N-(4-bromophenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(4-bromophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(4-bromophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(4-bromophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(4-bromophenyl)piperazine-1-carbothioamide Formula: C19H20BrN3OS MolecularWeight: 418.3506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3OS/c1-14(24)15-2-8-18(9-3-15)22-10-12-23(13-11-22)19(25)21-17-6-4-16(20)5-7-17/h2-9H,10-13H2,1H3,(H,21,25)