N-butan-2-yl-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-butan-2-yl-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-sec-butyl-piperazine-1-carbothioamide CAS Name: N-butan-2-yl-4-[(3-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-butan-2-yl-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-sec-butyl-piperazine-1-carbothioamide Formula: C16H24ClN3S MolecularWeight: 325.89986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N1CCN(CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(C)NC(=S)N1CCN(CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H24ClN3S/c1-3-13(2)18-16(21)20-9-7-19(8-10-20)12-14-5-4-6-15(17)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,21)