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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-propyl-piperazine-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-propyl-piperazine-1-carbothioamide Formula: C15H22ClN3S MolecularWeight: 311.87328

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H22ClN3S/c1-2-7-17-15(20)19-10-8-18(9-11-19)12-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3,(H,17,20)