4-methyl-N-(2-oxidanylideneoxolan-3-yl)-2-[(phenylmethyl)carbamothioylamino]pentanamide

Systemtic Name: 4-methyl-N-(2-oxidanylideneoxolan-3-yl)-2-[(phenylmethyl)carbamothioylamino]pentanamide Openeye Name: 2-(benzylcarbamothioylamino)-4-methyl-N-(2-oxotetrahydrofuran-3-yl)pentanamide CAS Name: 4-methyl-N-(2-oxo-3-oxolanyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanamide IUPAC Name: 2-(benzylcarbamothioylamino)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide Traditional Name: 2-(benzylthiocarbamoylamino)-N-(2-ketotetrahydrofuran-3-yl)-4-methyl-valeramide Formula: C18H25N3O3S MolecularWeight: 363.4744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC1=O)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1CCOC1=O)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3S/c1-12(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)