N-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O2S/c1-18-7-8-19(2)23(17-18)30-13-15-31(16-14-30)27(33)20-9-11-21(12-10-20)28-26(32)25-22-5-3-4-6-24(22)34-29-25/h3-12,17H,13-16H2,1-2H3,(H,28,32)