tert-butyl 2-[2-[(3-methylsulfanylphenyl)carbamoylamino]ethanoyl-phenyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[2-[(3-methylsulfanylphenyl)carbamoylamino]ethanoyl-phenyl-amino]ethanoate Openeye Name: tert-butyl 2-(N-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]anilino)acetate CAS Name: 2-(N-[2-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-oxoethyl]anilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]anilino)acetate Traditional Name: 2-(N-[2-[[3-(methylthio)phenyl]carbamoylamino]acetyl]anilino)acetic acid tert-butyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C(=O)CNC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C(=O)CNC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H27N3O4S/c1-22(2,3)29-20(27)15-25(17-10-6-5-7-11-17)19(26)14-23-21(28)24-16-9-8-12-18(13-16)30-4/h5-13H,14-15H2,1-4H3,(H2,23,24,28)