4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide Openeye Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide CAS Name: 4-[1,2-benzothiazol-3-yl(oxo)methyl]-N-(3,4-dimethylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide Traditional Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43)C

InChI

InChI=1S/C21H22N4O2S/c1-14-7-8-16(13-15(14)2)22-21(27)25-11-9-24(10-12-25)20(26)19-17-5-3-4-6-18(17)28-23-19/h3-8,13H,9-12H2,1-2H3,(H,22,27)