4-chloranyl-N-[3-methyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[3-methyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-chloro-N-[2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 4-chloro-N-[3-methyl-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-chloro-N-[3-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 4-chloro-N-[2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]propyl]benzamide Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O5S/c1-13(2)18(23-19(27)14-3-5-15(22)6-4-14)21(29)25-11-9-24(10-12-25)20(28)16-7-8-17(32-16)26(30)31/h3-8,13,18H,9-12H2,1-2H3,(H,23,27)