(Z)-7-[(4-chlorophenyl)carbamothioylamino]-1-nitro-hept-1-en-2-olate

Systemtic Name: (Z)-7-[(4-chlorophenyl)carbamothioylamino]-1-nitro-hept-1-en-2-olate Openeye Name: (Z)-7-[(4-chlorophenyl)carbamothioylamino]-1-nitro-hept-1-en-2-olate CAS Name: (Z)-7-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-1-nitro-1-hepten-2-olate IUPAC Name: (Z)-7-[(4-chlorophenyl)carbamothioylamino]-1-nitrohept-1-en-2-olate Traditional Name: (Z)-7-[(4-chlorophenyl)thiocarbamoylamino]-1-nitro-hept-1-en-2-olate Formula: C14H17ClN3O3S- MolecularWeight: 342.82108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCCCCC(=C[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCCCC/C(=C/[N+](=O)[O-])/[O-])Cl

InChI

InChI=1S/C14H18ClN3O3S/c15-11-5-7-12(8-6-11)17-14(22)16-9-3-1-2-4-13(19)10-18(20)21/h5-8,10,19H,1-4,9H2,(H2,16,17,22)/p-1/b13-10-