tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]sulfanylacetate CAS Name: 2-[[4-[[(4-cyanoanilino)-oxomethyl]-(2-hydroxyethyl)amino]phenyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]sulfanylacetate Traditional Name: 2-[[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]thio]acetic acid tert-butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)29-20(27)15-30-19-10-8-18(9-11-19)25(12-13-26)21(28)24-17-6-4-16(14-23)5-7-17/h4-11,26H,12-13,15H2,1-3H3,(H,24,28)