2-[(4-methylphenyl)methylsulfanyl]-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethanone Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S2/c1-14-2-4-15(5-3-14)12-27-13-17(23)20-8-10-21(11-9-20)19(24)16-6-7-18(28-16)22(25)26/h2-7H,8-13H2,1H3