N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(4-propionylpiperazino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H22N6O2S2/c1-2-19(28)27-11-9-26(10-12-27)18-6-4-3-5-16(18)22-21(30)23-20(29)14-7-8-15-17(13-14)25-31-24-15/h3-8,13H,2,9-12H2,1H3,(H2,22,23,29,30)