4-(2-chlorophenyl)carbonyl-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-methyl-piperazine-1-carbothioamide Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClN3OS/c1-15-13(19)17-8-6-16(7-9-17)12(18)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,19)