N-[3-(3-methylbutanoylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[3-(3-methylbutanoylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[3-(3-methylbutanoylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[3-(3-methylbutanoylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[3-(isovalerylamino)phenyl]piazthiole-5-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H18N4O2S/c1-11(2)8-17(23)19-13-4-3-5-14(10-13)20-18(24)12-6-7-15-16(9-12)22-25-21-15/h3-7,9-11H,8H2,1-2H3,(H,19,23)(H,20,24)