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

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-methoxy-4-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C15H13N4O4S- MolecularWeight: 345.35312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)NC(=S)N)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)NC(=S)N)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-23-13-7-12(19(21)22)6-9(14(13)20)8-17-10-2-4-11(5-3-10)18-15(16)24/h2-8,20H,1H3,(H3,16,18,24)/p-1