N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylpropanamide

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylpropanamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]propanamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]propanamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]propionamide Formula: C19H27N5O3S MolecularWeight: 405.51438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H27N5O3S/c1-2-18(25)20-19(28)23-12-10-21(11-13-23)15-6-7-16(24(26)27)17(14-15)22-8-4-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3,(H,20,25,28)