N-butyl-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(3,4-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide Formula: C15H21Cl2N3S MolecularWeight: 346.31834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Cl2N3S/c1-2-3-6-18-15(21)20-9-7-19(8-10-20)12-4-5-13(16)14(17)11-12/h4-5,11H,2-3,6-10H2,1H3,(H,18,21)