4-[(E)-1-(butylamino)-1-sulfanyl-pent-2-enyl]-1-sulfanyl-piperazine-2-carbothioamide

Systemtic Name: 4-[(E)-1-(butylamino)-1-sulfanyl-pent-2-enyl]-1-sulfanyl-piperazine-2-carbothioamide Openeye Name: 4-[(E)-1-(butylamino)-1-sulfanyl-pent-2-enyl]-1-sulfanyl-piperazine-2-carbothioamide CAS Name: 4-[(E)-1-(butylamino)-1-mercaptopent-2-enyl]-1-mercapto-2-piperazinecarbothioamide IUPAC Name: 4-[(E)-1-(butylamino)-1-sulfanylpent-2-enyl]-1-sulfanylpiperazine-2-carbothioamide Traditional Name: 4-[(E)-1-(butylamino)-1-mercapto-pent-2-enyl]-1-mercapto-piperazine-2-carbothioamide Formula: C14H28N4S3 MolecularWeight: 348.59392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C=CCC)(N1CCN(C(C1)C(=S)N)S)S

Isomeric SMILES

CCCCNC(/C=C/CC)(N1CCN(C(C1)C(=S)N)S)S

InChI

InChI=1S/C14H28N4S3/c1-3-5-7-14(20,16-8-6-4-2)17-9-10-18(21)12(11-17)13(15)19/h5,7,12,16,20-21H,3-4,6,8-11H2,1-2H3,(H2,15,19)/b7-5+