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

Systemtic Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-isobutyrylpiperazino)phenyl]piazthiole-5-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H23N5O2S/c1-14(2)21(28)26-11-9-25(10-12-26)19-6-4-3-5-17(19)22-20(27)15-7-8-16-18(13-15)24-29-23-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)