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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]piazthiole-5-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-2-3-20(27)26-12-10-25(11-13-26)17-7-5-16(6-8-17)22-21(28)15-4-9-18-19(14-15)24-29-23-18/h4-9,14H,2-3,10-13H2,1H3,(H,22,28)