3-(2-methylpropanoylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: 3-(2-methylpropanoylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: 3-(2-methylpropanoylcarbamothioylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: 3-(2-methylpropanoylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: 3-(isobutyrylthiocarbamoylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C17H23N3O3S/c1-11(2)15(21)20-17(24)19-13-6-3-5-12(9-13)16(22)18-10-14-7-4-8-23-14/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,18,22)(H2,19,20,21,24)/t14-/m1/s1