N-butyl-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-butyl-4-[(2,4-dichlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-(2,4-dichlorobenzyl)piperazine-1-carbothioamide Formula: C16H23Cl2N3S MolecularWeight: 360.34492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H23Cl2N3S/c1-2-3-6-19-16(22)21-9-7-20(8-10-21)12-13-4-5-14(17)11-15(13)18/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)