N-(3-chloranyl-4-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C18H20ClN3S MolecularWeight: 345.8895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3S/c1-14-7-8-15(13-17(14)19)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)