N-[5-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[5-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[5-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(2,2-dimethylpropanoylcarbamothioylamino)-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[2-methyl-5-(pivaloylthiocarbamoylamino)phenyl]cyclopropanecarboxamide Formula: C17H23N3O2S MolecularWeight: 333.44842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C(C)(C)C)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C(C)(C)C)NC(=O)C2CC2

InChI

InChI=1S/C17H23N3O2S/c1-10-5-8-12(9-13(10)19-14(21)11-6-7-11)18-16(23)20-15(22)17(2,3)4/h5,8-9,11H,6-7H2,1-4H3,(H,19,21)(H2,18,20,22,23)