N-[2-methyl-5-(3-methylbutylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[2-methyl-5-(3-methylbutylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[5-(isopentylcarbamoyl)-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[2-methyl-5-[(3-methylbutylamino)-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[2-methyl-5-(3-methylbutylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[5-(isoamylcarbamoyl)-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC(C)C)NC(=O)C2=NSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC(C)C)NC(=O)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O2S/c1-13(2)10-11-22-20(25)15-9-8-14(3)17(12-15)23-21(26)19-16-6-4-5-7-18(16)27-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,26)