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

Systemtic Name: 3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[(3-ethoxybenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[(3-ethoxybenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[(3-ethoxybenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C22H25N3O4S/c1-2-28-18-9-4-7-16(13-18)21(27)25-22(30)24-17-8-3-6-15(12-17)20(26)23-14-19-10-5-11-29-19/h3-4,6-9,12-13,19H,2,5,10-11,14H2,1H3,(H,23,26)(H2,24,25,27,30)