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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H24N6O2S2 MolecularWeight: 468.59496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C22H24N6O2S2/c1-2-3-20(29)28-12-10-27(11-13-28)17-7-5-16(6-8-17)23-22(31)24-21(30)15-4-9-18-19(14-15)26-32-25-18/h4-9,14H,2-3,10-13H2,1H3,(H2,23,24,30,31)