methyl 4-[(cyclohexylcarbonylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(cyclohexylcarbonylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(cyclohexanecarbonylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[cyclohexyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(cyclohexanecarbonylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(cyclohexanecarbonylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2

InChI

InChI=1S/C17H21N3O4S/c1-24-16(23)13-9-7-12(8-10-13)14(21)18-17(25)20-19-15(22)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,22)(H2,18,20,21,25)