4-(4-ethylsulfanyl-3-nitro-phenyl)carbonyl-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-(4-ethylsulfanyl-3-nitro-phenyl)carbonyl-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-(4-ethylsulfanyl-3-nitro-benzoyl)-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[4-(ethylthio)-3-nitrophenyl]-oxomethyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-(4-ethylsulfanyl-3-nitrobenzoyl)-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[4-(ethylthio)-3-nitro-benzoyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S/c1-4-25-14-6-5-12(11-13(14)20(23)24)15(21)18-7-9-19(10-8-18)16(22)17(2)3/h5-6,11H,4,7-10H2,1-3H3