4-[(E)-2-phenylethenyl]sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(E)-2-phenylethenyl]sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: N-(2-phenylsulfanylethyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[(E)-2-phenylethenyl]sulfonyl-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(E)-2-phenylethenyl]sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: N-[2-(phenylthio)ethyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCSC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCCSC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S3/c25-29(26,18-11-19-7-3-1-4-8-19)24-15-13-23(14-16-24)21(27)22-12-17-28-20-9-5-2-6-10-20/h1-11,18H,12-17H2,(H,22,27)/b18-11+