2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-[4-(3-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-1-[4-(3-thiophenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-1-[4-(3-thenyl)piperazino]ethanone Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S2/c1-26-18-3-2-15(10-17(18)22(24)25)12-28-14-19(23)21-7-5-20(6-8-21)11-16-4-9-27-13-16/h2-4,9-10,13H,5-8,11-12,14H2,1H3