N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[(3-methyl-1-oxobutyl)amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(isovalerylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H17N3O3S/c1-10(2)8-15(21)18-11-5-6-12-14(9-11)24-17(19-12)20-16(22)13-4-3-7-23-13/h3-7,9-10H,8H2,1-2H3,(H,18,21)(H,19,20,22)