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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

InChI

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