(3-bromanyl-5-chloranyl-2-methoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: (3-bromanyl-5-chloranyl-2-methoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-chloro-2-methoxy-phenyl)methanethione CAS Name: (3-bromo-5-chloro-2-methoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-chloro-2-methoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-5-chloro-2-methoxy-phenyl)methanethione Formula: C19H20BrClN2OS MolecularWeight: 439.7969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=S)N2CCN(CC2)CC3=CC=CC=C3)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=S)N2CCN(CC2)CC3=CC=CC=C3)Cl)Br

InChI

InChI=1S/C19H20BrClN2OS/c1-24-18-16(11-15(21)12-17(18)20)19(25)23-9-7-22(8-10-23)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3