N-butyl-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(2-cyanophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H22N4O2S2/c1-2-3-8-18-16(23)19-9-11-20(12-10-19)24(21,22)15-7-5-4-6-14(15)13-17/h4-7H,2-3,8-12H2,1H3,(H,18,23)