N-butyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(3-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4S2/c1-2-3-7-16-15(24)17-8-10-18(11-9-17)25(22,23)14-6-4-5-13(12-14)19(20)21/h4-6,12H,2-3,7-11H2,1H3,(H,16,24)