N-(3-chloranyl-2-methyl-phenyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C14H18ClN3OS/c1-10-12(15)4-3-5-13(10)16-14(20)18-8-6-17(7-9-18)11(2)19/h3-5H,6-9H2,1-2H3,(H,16,20)