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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

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