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

Systemtic Name: ethyl N-[[2-(butanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[5-benzoyl-2-(butanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-(1-oxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[5-benzoyl-2-(butanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[(5-benzoyl-2-butyramido-phenyl)thiocarbamoyl]carbamic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-8-18(25)22-16-12-11-15(19(26)14-9-6-5-7-10-14)13-17(16)23-20(29)24-21(27)28-4-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,22,25)(H2,23,24,27,29)