4-tert-butyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H33ClN4O2S MolecularWeight: 501.08382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C26H33ClN4O2S/c1-17(2)24(33)31-14-12-30(13-15-31)22-11-10-20(16-21(22)27)28-25(34)29-23(32)18-6-8-19(9-7-18)26(3,4)5/h6-11,16-17H,12-15H2,1-5H3,(H2,28,29,32,34)