4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3-chloranyl-2-methyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3-chloranyl-2-methyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3-chloro-2-methyl-phenyl)piperazine-1-carboxamide CAS Name: 4-[1,2-benzothiazol-3-yl(oxo)methyl]-N-(3-chloro-2-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3-chloro-2-methyl-phenyl)piperazine-1-carboxamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H19ClN4O2S/c1-13-15(21)6-4-7-16(13)22-20(27)25-11-9-24(10-12-25)19(26)18-14-5-2-3-8-17(14)28-23-18/h2-8H,9-12H2,1H3,(H,22,27)