N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O2S/c1-31-23-10-6-5-9-22(23)28-13-15-29(16-14-28)25(32)27-21-12-11-19(26)17-20(21)24(30)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,32)