N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2S/c1-23(2,3)21(30)28-13-11-27(12-14-28)19-10-9-17(15-18(19)24)25-22(31)26-20(29)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29,31)