methyl 3-nitro-5-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[(4-isopropylphenyl)carbamothioylamino]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamoyl]benzoate Traditional Name: 3-nitro-5-[(p-cumenylthiocarbamoylamino)carbamoyl]benzoic acid methyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N4O5S/c1-11(2)12-4-6-15(7-5-12)20-19(29)22-21-17(24)13-8-14(18(25)28-3)10-16(9-13)23(26)27/h4-11H,1-3H3,(H,21,24)(H2,20,22,29)