4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S/c1-15(2)22(30)27-12-10-26(11-13-27)18-7-5-17(6-8-18)24-23(34)25-21(29)16-4-9-20(33-3)19(14-16)28(31)32/h4-9,14-15H,10-13H2,1-3H3,(H2,24,25,29,34)