2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-ethoxy-4-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C16H15N4O4S- MolecularWeight: 359.3797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)NC(=S)N)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)NC(=S)N)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-2-24-14-8-13(20(22)23)7-10(15(14)21)9-18-11-3-5-12(6-4-11)19-16(17)25/h3-9,21H,2H2,1H3,(H3,17,19,25)/p-1