(4-methylsulfanyl-3-nitro-phenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone Openeye Name: (4-cinnamylpiperazin-1-yl)-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone Traditional Name: (4-cinnamylpiperazino)-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c1-28-20-10-9-18(16-19(20)24(26)27)21(25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3