N-(5-chloranyl-2-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C18H20ClN3S MolecularWeight: 345.8895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3S/c1-14-7-8-15(19)13-17(14)20-18(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,20,23)