4-[(3-chlorophenyl)methyl]-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-ethyl-piperazine-1-carbothioamide Formula: C14H20ClN3S MolecularWeight: 297.8467

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H20ClN3S/c1-2-16-14(19)18-8-6-17(7-9-18)11-12-4-3-5-13(15)10-12/h3-5,10H,2,6-9,11H2,1H3,(H,16,19)