ethyl N-[[5-(phenylcarbonyl)-2-(propanoylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[5-(phenylcarbonyl)-2-(propanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[5-benzoyl-2-(propanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-(1-oxopropylamino)anilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[5-benzoyl-2-(propanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[(5-benzoyl-2-propionamido-phenyl)thiocarbamoyl]carbamic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-17(24)21-15-11-10-14(18(25)13-8-6-5-7-9-13)12-16(15)22-19(28)23-20(26)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,24)(H2,22,23,26,28)