N-[(4-chlorophenyl)methyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(4-chlorobenzyl)piperazine-1-carbothioamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-15(25)17-4-8-19(9-5-17)23-10-12-24(13-11-23)20(26)22-14-16-2-6-18(21)7-3-16/h2-9H,10-14H2,1H3,(H,22,26)