2-[(2-hexoxyphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(2-hexoxyphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(2-hexoxybenzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(2-hexoxybenzoyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(2-hexoxybenzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C20H22N3O5S- MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-3-4-7-12-28-18-9-6-5-8-15(18)19(25)22-20(29)21-16-13-14(23(26)27)10-11-17(16)24/h5-6,8-11,13,24H,2-4,7,12H2,1H3,(H2,21,22,25,29)/p-1