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

Systemtic Name: 4-tert-butyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-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=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

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