N-(4-ethoxyphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-p-phenetyl-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C17H21N3O3S3 MolecularWeight: 411.56194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O3S3/c1-2-23-15-7-5-14(6-8-15)18-17(24)19-9-11-20(12-10-19)26(21,22)16-4-3-13-25-16/h3-8,13H,2,9-12H2,1H3,(H,18,24)