1-(3-morpholin-4-ylcarbonylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-(3-morpholin-4-ylcarbonylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-[3-(morpholine-4-carbonyl)piperazin-1-yl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[3-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 1-[3-(morpholine-4-carbonyl)piperazin-1-yl]-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-[3-(morpholine-4-carbonyl)piperazino]prop-2-en-1-one Formula: C18H22N4O5S MolecularWeight: 406.45608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCNC(C2)C(=O)N3CCOCC3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCNC(C2)C(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O5S/c1-12(13-2-3-16(28)15(10-13)22(25)26)17(23)21-5-4-19-14(11-21)18(24)20-6-8-27-9-7-20/h2-3,10,14,19,28H,1,4-9,11H2