ethyl 3-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate CAS Name: 3-[[[3-(3-acetamidophenoxy)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate Traditional Name: 3-[3-(3-acetamidophenoxy)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCOC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCOC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-3-27-20(26)16-7-4-8-17(13-16)24-21(29)22-11-6-12-28-19-10-5-9-18(14-19)23-15(2)25/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,23,25)(H2,22,24,29)