N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C23H25BrClN5S MolecularWeight: 518.9001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25BrClN5S/c1-17-5-4-6-18(13-17)14-28-9-11-29(12-10-28)23(31)26-22-20(24)16-30(27-22)15-19-7-2-3-8-21(19)25/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,31)