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

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-ethyl-piperazine-1-carbothioamide Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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