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

Systemtic Name: N-(2-ethylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-2-19-10-6-7-11-20(19)22-21(27)23-13-15-24(16-14-23)28(25,26)17-12-18-8-4-3-5-9-18/h3-12,17H,2,13-16H2,1H3,(H,22,27)/b17-12+