3-(3-methylbutanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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