tert-butyl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]-3-methyl-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]-3-methyl-phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]-3-methyl-phenoxy]acetate CAS Name: 2-[4-[[[[(4-carbamothioylphenyl)-oxomethyl]amino]-oxomethyl]amino]-3-methylphenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]-3-methylphenoxy]acetate Traditional Name: 2-[3-methyl-4-[(4-thiocarbamoylbenzoyl)carbamoylamino]phenoxy]acetic acid tert-butyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC(C)(C)C)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OC(C)(C)C)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C22H25N3O5S/c1-13-11-16(29-12-18(26)30-22(2,3)4)9-10-17(13)24-21(28)25-20(27)15-7-5-14(6-8-15)19(23)31/h5-11H,12H2,1-4H3,(H2,23,31)(H2,24,25,27,28)