N-(2-chloranyl-4,6-dimethyl-phenyl)-4-cyclopropylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-cyclopropylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(cyclopropanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-[cyclopropyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(cyclopropanecarbonyl)piperazine-1-carbothioamide Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3CC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3CC3)C

InChI

InChI=1S/C17H22ClN3OS/c1-11-9-12(2)15(14(18)10-11)19-17(23)21-7-5-20(6-8-21)16(22)13-3-4-13/h9-10,13H,3-8H2,1-2H3,(H,19,23)