2-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-propanamide

Systemtic Name: 2-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-propanamide Openeye Name: 2-methyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]propanamide CAS Name: 2-methyl-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]propanamide Traditional Name: 2-methyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]propionamide Formula: C19H27N5O4S MolecularWeight: 421.51378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)C(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H27N5O4S/c1-14(2)18(25)20-19(29)23-7-5-21(6-8-23)15-3-4-16(24(26)27)17(13-15)22-9-11-28-12-10-22/h3-4,13-14H,5-12H2,1-2H3,(H,20,25,29)