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

Systemtic Name: N-[6-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(isovalerylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-10(2)8-15(23)21-17(26)19-11-5-6-12-14(9-11)27-18(20-12)22-16(24)13-4-3-7-25-13/h3-7,9-10H,8H2,1-2H3,(H,20,22,24)(H2,19,21,23,26)