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

Systemtic Name: cyclohexyl N-[[2-(butanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: cyclohexyl N-[[5-benzoyl-2-(butanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-(1-oxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid cyclohexyl ester IUPAC Name: cyclohexyl N-[[5-benzoyl-2-(butanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[(5-benzoyl-2-butyramido-phenyl)thiocarbamoyl]carbamic acid cyclohexyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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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)OC3CCCCC3

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC3CCCCC3

InChI

InChI=1S/C25H29N3O4S/c1-2-9-22(29)26-20-15-14-18(23(30)17-10-5-3-6-11-17)16-21(20)27-24(33)28-25(31)32-19-12-7-4-8-13-19/h3,5-6,10-11,14-16,19H,2,4,7-9,12-13H2,1H3,(H,26,29)(H2,27,28,31,33)