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

Systemtic Name: 1-(3-morpholin-4-ylcarbonylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-[3-(morpholine-4-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 1-[3-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-[3-(morpholine-4-carbonyl)piperazin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-[3-(morpholine-4-carbonyl)piperazino]-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNC(C3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNC(C3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O5S/c1-18(2)21-6-4-5-7-24(21)37-25-9-8-20(16-23(25)31(34)35)19(3)26(32)30-11-10-28-22(17-30)27(33)29-12-14-36-15-13-29/h4-9,16,18,22,28H,3,10-15,17H2,1-2H3