2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[(3-isopentyloxybenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[(3-isoamoxybenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

InChI=1S/C25H31N3O4S/c1-17(2)12-14-32-19-8-5-7-18(15-19)23(29)28-25(33)27-22-11-4-3-10-21(22)24(30)26-16-20-9-6-13-31-20/h3-5,7-8,10-11,15,17,20H,6,9,12-14,16H2,1-2H3,(H,26,30)(H2,27,28,29,33)