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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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