methyl 3-[(cyclopentylcarbamothioylamino)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(cyclopentylcarbamothioylamino)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(cyclopentylcarbamothioylamino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(cyclopentylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(cyclopentylcarbamothioylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(cyclopentylthiocarbamoylamino)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-24-14(21)10-6-9(7-12(8-10)19(22)23)13(20)17-18-15(25)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,17,20)(H2,16,18,25)