N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-nitro-1H-pyrrole-2-carboxamide Formula: C22H22N6O5S2 MolecularWeight: 514.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC(=CN4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC(=CN4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O5S2/c1-14(29)26-5-7-27(8-6-26)21(31)16-4-2-3-15(9-16)13-34-19-12-24-22(35-19)25-20(30)18-10-17(11-23-18)28(32)33/h2-4,9-12,23H,5-8,13H2,1H3,(H,24,25,30)