methyl 3-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O5S/c1-33-23(32)18-9-5-8-17(14-18)21(30)26-24(34)28-27-22(31)16-10-12-19(13-11-16)25-20(29)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,25,29)(H,27,31)(H2,26,28,30,34)