propan-2-yl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]-3-methyl-phenoxy]ethanoate

Systemtic Name: propan-2-yl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]-3-methyl-phenoxy]ethanoate Openeye Name: isopropyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]-3-methyl-phenoxy]acetate CAS Name: 2-[4-[[[[(4-carbamothioylphenyl)-oxomethyl]amino]-oxomethyl]amino]-3-methylphenoxy]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]-3-methylphenoxy]acetate Traditional Name: 2-[3-methyl-4-[(4-thiocarbamoylbenzoyl)carbamoylamino]phenoxy]acetic acid isopropyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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