5-[[azanyl(nitramido)methylidene]amino]-2-[(4-carbamothioylphenoxy)carbonylamino]pentanoic acid

Systemtic Name: 5-[[azanyl(nitramido)methylidene]amino]-2-[(4-carbamothioylphenoxy)carbonylamino]pentanoic acid Openeye Name: 5-[[amino(nitramido)methylene]amino]-2-[(4-carbamothioylphenoxy)carbonylamino]pentanoic acid CAS Name: 5-[[amino(nitramido)methylidene]amino]-2-[[(4-carbamothioylphenoxy)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[amino(nitramido)methylidene]amino]-2-[(4-carbamothioylphenoxy)carbonylamino]pentanoic acid Traditional Name: 5-[[amino(nitramido)methylene]amino]-2-[(4-thiocarbamoylphenoxy)carbonylamino]valeric acid Formula: C14H18N6O6S MolecularWeight: 398.39432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N)OC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)OC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N6O6S/c15-11(27)8-3-5-9(6-4-8)26-14(23)18-10(12(21)22)2-1-7-17-13(16)19-20(24)25/h3-6,10H,1-2,7H2,(H2,15,27)(H,18,23)(H,21,22)(H3,16,17,19)