N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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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(=CC=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O3S/c1-3-21(29)28-12-10-27(11-13-28)20-9-8-17(24)15-19(20)25-23(32)26-22(30)16-6-5-7-18(14-16)31-4-2/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,25,26,30,32)