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

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-yl]-4-m-anisyl-piperazine-1-carbothioamide Formula: C23H26ClN5OS MolecularWeight: 456.00344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN5OS/c1-30-21-7-4-5-18(13-21)15-27-9-11-28(12-10-27)23(31)26-20-14-25-29(17-20)16-19-6-2-3-8-22(19)24/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,31)