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

Systemtic Name: 3-methyl-N-[3-methyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 3-methyl-N-[3-methyl-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[3-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-14(2)19(23-20(27)16-6-4-5-15(3)13-16)22(29)25-11-9-24(10-12-25)21(28)17-7-8-18(32-17)26(30)31/h4-8,13-14,19H,9-12H2,1-3H3,(H,23,27)