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

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitro-phenolate Openeye Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitrophenolate IUPAC Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitrophenolate Traditional Name: 4-(2-chlorobenzyl)-2-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C21H16ClN4O3S- MolecularWeight: 439.89474

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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-])Cl

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-])Cl

InChI

InChI=1S/C21H17ClN4O3S/c22-18-4-2-1-3-14(18)9-13-10-15(20(27)19(11-13)26(28)29)12-24-16-5-7-17(8-6-16)25-21(23)30/h1-8,10-12,27H,9H2,(H3,23,25,30)/p-1