(Z)-1-nitro-7-(phenylcarbamothioylamino)hept-1-en-2-olate

Systemtic Name: (Z)-1-nitro-7-(phenylcarbamothioylamino)hept-1-en-2-olate Openeye Name: (Z)-1-nitro-7-(phenylcarbamothioylamino)hept-1-en-2-olate CAS Name: (Z)-7-[[anilino(sulfanylidene)methyl]amino]-1-nitro-1-hepten-2-olate IUPAC Name: (Z)-1-nitro-7-(phenylcarbamothioylamino)hept-1-en-2-olate Traditional Name: (Z)-1-nitro-7-(phenylthiocarbamoylamino)hept-1-en-2-olate Formula: C14H18N3O3S- MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCCCCC(=C[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCCCC/C(=C/[N+](=O)[O-])/[O-]

InChI

InChI=1S/C14H19N3O3S/c18-13(11-17(19)20)9-5-2-6-10-15-14(21)16-12-7-3-1-4-8-12/h1,3-4,7-8,11,18H,2,5-6,9-10H2,(H2,15,16,21)/p-1/b13-11-