2-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

Systemtic Name: 2-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide Openeye Name: 2-[(4-ethoxybenzoyl)carbamothioylamino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 2-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[[(2S)-2-oxolanyl]methyl]benzamide IUPAC Name: 2-[(4-ethoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide Traditional Name: 2-[(4-ethoxybenzoyl)thiocarbamoylamino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC[C@@H]3CCCO3

InChI

InChI=1S/C22H25N3O4S/c1-2-28-16-11-9-15(10-12-16)20(26)25-22(30)24-19-8-4-3-7-18(19)21(27)23-14-17-6-5-13-29-17/h3-4,7-12,17H,2,5-6,13-14H2,1H3,(H,23,27)(H2,24,25,26,30)/t17-/m0/s1