3-methyl-N-(2-oxidanylideneoxolan-3-yl)-2-(phenylcarbamothioylamino)butanamide

Systemtic Name: 3-methyl-N-(2-oxidanylideneoxolan-3-yl)-2-(phenylcarbamothioylamino)butanamide Openeye Name: 3-methyl-N-(2-oxotetrahydrofuran-3-yl)-2-(phenylcarbamothioylamino)butanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-methyl-N-(2-oxo-3-oxolanyl)butanamide IUPAC Name: 3-methyl-N-(2-oxooxolan-3-yl)-2-(phenylcarbamothioylamino)butanamide Traditional Name: N-(2-ketotetrahydrofuran-3-yl)-3-methyl-2-(phenylthiocarbamoylamino)butyramide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCOC1=O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC1CCOC1=O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O3S/c1-10(2)13(14(20)18-12-8-9-22-15(12)21)19-16(23)17-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,18,20)(H2,17,19,23)