tert-butyl 2-[2-[(4-acetamidophenyl)carbamothioylamino]-4-chloranyl-5-methoxy-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[2-[(4-acetamidophenyl)carbamothioylamino]-4-chloranyl-5-methoxy-phenoxy]ethanoate Openeye Name: tert-butyl 2-[2-[(4-acetamidophenyl)carbamothioylamino]-4-chloro-5-methoxy-phenoxy]acetate CAS Name: 2-[2-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-4-chloro-5-methoxyphenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-acetamidophenyl)carbamothioylamino]-4-chloro-5-methoxyphenoxy]acetate Traditional Name: 2-[2-[(4-acetamidophenyl)thiocarbamoylamino]-4-chloro-5-methoxy-phenoxy]acetic acid tert-butyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OCC(=O)OC(C)(C)C)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OCC(=O)OC(C)(C)C)OC)Cl

InChI

InChI=1S/C22H26ClN3O5S/c1-13(27)24-14-6-8-15(9-7-14)25-21(32)26-17-10-16(23)18(29-5)11-19(17)30-12-20(28)31-22(2,3)4/h6-11H,12H2,1-5H3,(H,24,27)(H2,25,26,32)