N-(2-ethoxyphenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-nosyl-N-o-phenetyl-piperazine-1-carbothioamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S2/c1-2-28-18-6-4-3-5-17(18)20-19(29)21-11-13-22(14-12-21)30(26,27)16-9-7-15(8-10-16)23(24)25/h3-10H,2,11-14H2,1H3,(H,20,29)