N-(3-methylsulfanylpropyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(4-propylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-(4-propylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H29N3O2S3 MolecularWeight: 415.63676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC

InChI

InChI=1S/C18H29N3O2S3/c1-3-5-16-6-8-17(9-7-16)26(22,23)21-13-11-20(12-14-21)18(24)19-10-4-15-25-2/h6-9H,3-5,10-15H2,1-2H3,(H,19,24)