4-tert-butyl-N-[2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-keto-2-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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