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

Systemtic Name: 4-methyl-2-[(3-methylphenyl)carbamothioylamino]-N-(2-oxidanyloxolan-3-yl)pentanamide Openeye Name: N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-2-(m-tolylcarbamothioylamino)pentanamide CAS Name: N-(2-hydroxy-3-oxolanyl)-4-methyl-2-[[(3-methylanilino)-sulfanylidenemethyl]amino]pentanamide IUPAC Name: N-(2-hydroxyoxolan-3-yl)-4-methyl-2-[(3-methylphenyl)carbamothioylamino]pentanamide Traditional Name: N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-2-(m-tolylthiocarbamoylamino)valeramide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(CC(C)C)C(=O)NC2CCOC2O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(CC(C)C)C(=O)NC2CCOC2O

InChI

InChI=1S/C18H27N3O3S/c1-11(2)9-15(16(22)20-14-7-8-24-17(14)23)21-18(25)19-13-6-4-5-12(3)10-13/h4-6,10-11,14-15,17,23H,7-9H2,1-3H3,(H,20,22)(H2,19,21,25)