N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2CC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2CC2

InChI

InChI=1S/C16H21N3O2S/c1-10(2)9-14(20)17-12-5-7-13(8-6-12)18-16(22)19-15(21)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,20)(H2,18,19,21,22)