4-(3-methylbutanoylcarbamothioylamino)benzamide

Systemtic Name: 4-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: 4-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: 4-(isovalerylthiocarbamoylamino)benzamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C13H17N3O2S/c1-8(2)7-11(17)16-13(19)15-10-5-3-9(4-6-10)12(14)18/h3-6,8H,7H2,1-2H3,(H2,14,18)(H2,15,16,17,19)