3-(4-methylphenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazino]-3-(p-tolyl)propan-1-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-14-2-4-15(5-3-14)6-8-17(23)20-10-12-21(13-11-20)19(24)16-7-9-18(27-16)22(25)26/h2-5,7,9H,6,8,10-13H2,1H3