methyl 2-[(cyclohexylcarbamothioylamino)carbamoylamino]benzoate

Systemtic Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamoylamino]benzoate Openeye Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamoylamino]benzoate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamoylamino]benzoate Traditional Name: 2-[(cyclohexylthiocarbamoylamino)carbamoylamino]benzoic acid methyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NNC(=S)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NNC(=S)NC2CCCCC2

InChI

InChI=1S/C16H22N4O3S/c1-23-14(21)12-9-5-6-10-13(12)18-15(22)19-20-16(24)17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,17,20,24)(H2,18,19,22)