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

Systemtic Name: 4-methyl-N-(2-oxidanyloxolan-3-yl)-2-[(phenylmethyl)carbamothioylamino]pentanamide Openeye Name: 2-(benzylcarbamothioylamino)-N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-pentanamide CAS Name: N-(2-hydroxy-3-oxolanyl)-4-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanamide IUPAC Name: 2-(benzylcarbamothioylamino)-N-(2-hydroxyoxolan-3-yl)-4-methylpentanamide Traditional Name: 2-(benzylthiocarbamoylamino)-N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-valeramide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC1O)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1CCOC1O)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3S/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/h3-7,12,14-15,17,23H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)