4-tert-butyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O2S/c1-5-22(31)30-14-12-29(13-15-30)21-11-10-19(26)16-20(21)27-24(33)28-23(32)17-6-8-18(9-7-17)25(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H2,27,28,32,33)