1-(5-methylthiophen-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-methylthiophen-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-methyl-2-thienyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-methyl-2-thiophenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-methylthiophen-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-methyl-2-thienyl)-4-[4-(4-nitrophenyl)piperazino]butane-1,4-dione Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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