tert-butyl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenoxy]acetate CAS Name: 2-[4-[[[[(4-carbamothioylphenyl)-oxomethyl]amino]-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-thiocarbamoylbenzoyl)carbamoylamino]phenoxy]acetic acid tert-butyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-21(2,3)29-17(25)12-28-16-10-8-15(9-11-16)23-20(27)24-19(26)14-6-4-13(5-7-14)18(22)30/h4-11H,12H2,1-3H3,(H2,22,30)(H2,23,24,26,27)