2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethanone Formula: C19H20BrN3O4S2 MolecularWeight: 498.4138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O4S2/c1-12-10-16(13(2)9-14(12)20)28-11-17(24)21-5-7-22(8-6-21)19(25)15-3-4-18(29-15)23(26)27/h3-4,9-10H,5-8,11H2,1-2H3