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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-28-21-9-7-20(8-10-21)11-13-23-22(29)24-14-16-25(17-15-24)30(26,27)18-12-19-5-3-2-4-6-19/h2-10,12,18H,11,13-17H2,1H3,(H,23,29)/b18-12+