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

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C21H17N4O3S- MolecularWeight: 405.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC=C(C=C3)NC(=S)N)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC=C(C=C3)NC(=S)N)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c22-21(29)24-18-8-6-17(7-9-18)23-13-16-11-15(10-14-4-2-1-3-5-14)12-19(20(16)26)25(27)28/h1-9,11-13,26H,10H2,(H3,22,24,29)/p-1