N-(2-hydroxyethyl)-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(2-hydroxyethyl)-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-hydroxyethyl)-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-hydroxyethyl)-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-hydroxyethyl)-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-(2-hydroxyethyl)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

InChI

InChI=1S/C22H27N3O4S/c1-2-3-6-15-29-17-11-9-16(10-12-17)20(27)25-22(30)24-19-8-5-4-7-18(19)21(28)23-13-14-26/h4-5,7-12,26H,2-3,6,13-15H2,1H3,(H,23,28)(H2,24,25,27,30)