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

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-[4-(1-oxopropyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 2-[3-nitro-4-(o-cumenylthio)phenyl]-1-(4-propionylpiperazino)prop-2-en-1-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4S/c1-5-24(29)26-12-14-27(15-13-26)25(30)18(4)19-10-11-23(21(16-19)28(31)32)33-22-9-7-6-8-20(22)17(2)3/h6-11,16-17H,4-5,12-15H2,1-3H3