methyl N-[[2-acetamido-5-(2-oxidanyl-2-phenyl-ethoxy)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-acetamido-5-(2-oxidanyl-2-phenyl-ethoxy)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-acetamido-5-(2-hydroxy-2-phenyl-ethoxy)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-acetamido-5-(2-hydroxy-2-phenylethoxy)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-acetamido-5-(2-hydroxy-2-phenylethoxy)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-5-(2-hydroxy-2-phenyl-ethoxy)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OCC(C2=CC=CC=C2)O)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OCC(C2=CC=CC=C2)O)NC(=S)NC(=O)OC

InChI

InChI=1S/C19H21N3O5S/c1-12(23)20-15-9-8-14(10-16(15)21-18(28)22-19(25)26-2)27-11-17(24)13-6-4-3-5-7-13/h3-10,17,24H,11H2,1-2H3,(H,20,23)(H2,21,22,25,28)