tert-butyl 2-[4-[(6-carbamothioyl-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(6-carbamothioyl-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(6-carbamothioylbenzothiophene-2-carbonyl)amino]phenoxy]acetate CAS Name: 2-[4-[[(6-carbamothioyl-1-benzothiophen-2-yl)-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(6-carbamothioyl-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[(6-thiocarbamoylbenzothiophene-2-carbonyl)amino]phenoxy]acetic acid tert-butyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=C(C=C3)C(=S)N

InChI

InChI=1S/C22H22N2O4S2/c1-22(2,3)28-19(25)12-27-16-8-6-15(7-9-16)24-21(26)18-10-13-4-5-14(20(23)29)11-17(13)30-18/h4-11H,12H2,1-3H3,(H2,23,29)(H,24,26)