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

Systemtic Name: 2-[(3-cyanophenyl)carbamothioylamino]-4-methyl-N-(2-oxidanyloxolan-3-yl)pentanamide Openeye Name: 2-[(3-cyanophenyl)carbamothioylamino]-N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-pentanamide CAS Name: 2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-N-(2-hydroxy-3-oxolanyl)-4-methylpentanamide IUPAC Name: 2-[(3-cyanophenyl)carbamothioylamino]-N-(2-hydroxyoxolan-3-yl)-4-methylpentanamide Traditional Name: 2-[(3-cyanophenyl)thiocarbamoylamino]-N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-valeramide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC1O)NC(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CC(C(=O)NC1CCOC1O)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H24N4O3S/c1-11(2)8-15(16(23)21-14-6-7-25-17(14)24)22-18(26)20-13-5-3-4-12(9-13)10-19/h3-5,9,11,14-15,17,24H,6-8H2,1-2H3,(H,21,23)(H2,20,22,26)