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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

InChI

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