propyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: propyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: propyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O5S/c1-3-10-26-17(22)12-4-6-13(7-5-12)19-18(27)20-15-9-8-14(21(23)24)11-16(15)25-2/h4-9,11H,3,10H2,1-2H3,(H2,19,20,27)