N-butyl-4-(2-chlorophenyl)carbonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(2-chlorophenyl)carbonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2-chlorobenzoyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-[(2-chlorophenyl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2-chlorobenzoyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-chlorobenzoyl)piperazine-1-carbothioamide Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H22ClN3OS/c1-2-3-8-18-16(22)20-11-9-19(10-12-20)15(21)13-6-4-5-7-14(13)17/h4-7H,2-3,8-12H2,1H3,(H,18,22)