methyl 4-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate Openeye Name: methyl 4-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(3-acetamidophenoxy)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-acetamidophenoxy)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(3-acetamidophenoxy)propylthiocarbamoylamino]benzoic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OCCCNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OCCCNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H23N3O4S/c1-14(24)22-17-5-3-6-18(13-17)27-12-4-11-21-20(28)23-16-9-7-15(8-10-16)19(25)26-2/h3,5-10,13H,4,11-12H2,1-2H3,(H,22,24)(H2,21,23,28)