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

Systemtic Name: 4-(3-nitrophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-(3-nitrophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide CAS Name: 4-(3-nitrophenyl)sulfonyl-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-nitrophenyl)sulfonyl-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(3-nitrophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Formula: C14H20N4O4S2 MolecularWeight: 372.463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S2/c1-2-6-15-14(23)16-7-9-17(10-8-16)24(21,22)13-5-3-4-12(11-13)18(19)20/h3-5,11H,2,6-10H2,1H3,(H,15,23)