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

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H24Cl2N4O3S MolecularWeight: 495.42196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Cl)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Cl)Cl

InChI

InChI=1S/C22H24Cl2N4O3S/c1-3-19(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-22(32)26-21(30)17-12-14(23)13-18(24)20(17)31-2/h4-7,12-13H,3,8-11H2,1-2H3,(H2,25,26,30,32)