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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]piazthiole-5-carboxamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2S/c1-13(2)21(29)27-9-7-26(8-10-27)19-6-4-15(12-16(19)22)23-20(28)14-3-5-17-18(11-14)25-30-24-17/h3-6,11-13H,7-10H2,1-2H3,(H,23,28)