N-[2-methyl-5-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-5-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-5-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-5-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-5-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide Traditional Name: N-[5-(isobutyrylthiocarbamoylamino)-2-methyl-phenyl]cyclopropanecarboxamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-9(2)14(20)19-16(22)17-12-7-4-10(3)13(8-12)18-15(21)11-5-6-11/h4,7-9,11H,5-6H2,1-3H3,(H,18,21)(H2,17,19,20,22)