N-(3-ethanoylphenyl)-4-phenethyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-phenethyl-piperazine-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-17(25)19-8-5-9-20(16-19)22-21(26)24-14-12-23(13-15-24)11-10-18-6-3-2-4-7-18/h2-9,16H,10-15H2,1H3,(H,22,26)