methyl N-[[2-(cyclohexylcarbonylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(cyclohexylcarbonylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(cyclohexanecarbonylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-[[cyclohexyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(cyclohexanecarbonylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-(cyclohexanecarbonylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H25N3O4S/c1-30-23(29)26-22(31)25-19-14-17(20(27)15-8-4-2-5-9-15)12-13-18(19)24-21(28)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,24,28)(H2,25,26,29,31)