N-ethyl-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-ethyl-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-ethyl-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-ethyl-3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-ethyl-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoylamino]-N-ethyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC

InChI

InChI=1S/C22H27N3O3S/c1-3-5-6-14-28-19-12-10-16(11-13-19)21(27)25-22(29)24-18-9-7-8-17(15-18)20(26)23-4-2/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)(H2,24,25,27,29)