propyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5S/c1-2-9-27-17(24)11-3-6-13(7-4-11)20-18(28)21-16(23)12-5-8-14(19)15(10-12)22(25)26/h3-8,10H,2,9H2,1H3,(H2,20,21,23,28)