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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-p-anisyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-27-20-9-7-19(8-10-20)17-22-21(28)23-12-14-24(15-13-23)29(25,26)16-11-18-5-3-2-4-6-18/h2-11,16H,12-15,17H2,1H3,(H,22,28)/b16-11+