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

Systemtic Name: 2,3-bis(chloranyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2,3-dichloro-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H22Cl2N4O2S MolecularWeight: 465.39598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O2S/c1-2-18(28)27-12-10-26(11-13-27)15-8-6-14(7-9-15)24-21(30)25-20(29)16-4-3-5-17(22)19(16)23/h3-9H,2,10-13H2,1H3,(H2,24,25,29,30)