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

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-4-m-anisyl-piperazine-1-carbothioamide Formula: C23H25BrClN5OS MolecularWeight: 534.8995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25BrClN5OS/c1-31-19-7-4-5-17(13-19)14-28-9-11-29(12-10-28)23(32)26-22-20(24)16-30(27-22)15-18-6-2-3-8-21(18)25/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,32)