N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[5-[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC2=CN=CN2)NC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC2=CN=CN2)NC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H19N5O2S/c1-13-6-7-14(20(27)23-9-8-15-11-22-12-24-15)10-17(13)25-21(28)19-16-4-2-3-5-18(16)29-26-19/h2-7,10-12H,8-9H2,1H3,(H,22,24)(H,23,27)(H,25,28)