(E)-1-(4-ethanoylpiperazin-1-yl)-3-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethanoylpiperazin-1-yl)-3-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[3-nitro-4-(phenylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(3-nitro-4-phenylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[3-nitro-4-(phenylthio)phenyl]prop-2-en-1-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-16(25)22-11-13-23(14-12-22)21(26)10-8-17-7-9-20(19(15-17)24(27)28)29-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b10-8+