N-[2-methyl-3-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-3-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-3-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-3-(2-methylpropanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide Traditional Name: N-[3-(isobutyrylthiocarbamoylamino)-2-methyl-phenyl]cyclopropanecarboxamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C(C)C)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C(C)C)NC(=O)C2CC2

InChI

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