4-(3-methylbutanoylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: 4-(3-methylbutanoylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: 4-(3-methylbutanoylcarbamothioylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: 4-(3-methylbutanoylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: 4-(isovalerylthiocarbamoylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C18H25N3O3S MolecularWeight: 363.4744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-12(2)10-16(22)21-18(25)20-14-7-5-13(6-8-14)17(23)19-11-15-4-3-9-24-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,23)(H2,20,21,22,25)/t15-/m1/s1