4-(4-ethoxyphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: N-[2-(phenylthio)ethyl]-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O3S3 MolecularWeight: 465.65238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S3/c1-2-27-18-8-10-20(11-9-18)30(25,26)24-15-13-23(14-16-24)21(28)22-12-17-29-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,28)