2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H21ClN4O4S/c1-21(12-14-11-15(24(27)28)4-5-16(14)20)13-18(25)22-6-8-23(9-7-22)19(26)17-3-2-10-29-17/h2-5,10-11H,6-9,12-13H2,1H3