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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]piazthiole-5-carboxamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C25H23N5O2S/c1-17-4-2-3-5-21(17)25(32)30-14-12-29(13-15-30)20-9-7-19(8-10-20)26-24(31)18-6-11-22-23(16-18)28-33-27-22/h2-11,16H,12-15H2,1H3,(H,26,31)