4-(4-methylsulfonyl-2-nitro-phenyl)-N-propyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-propyl-piperazine-1-carbothioamide CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(4-mesyl-2-nitro-phenyl)-N-propyl-piperazine-1-carbothioamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

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