butyl 4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-3-4-12-28-19(25)14-8-10-15(11-9-14)21-20(29)22-18(24)16-6-5-7-17(13(16)2)23(26)27/h5-11H,3-4,12H2,1-2H3,(H2,21,22,24,29)