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

Systemtic Name: (Z)-7-[(4-methoxyphenyl)carbamothioylamino]-1-nitro-hept-1-en-2-olate Openeye Name: (Z)-7-[(4-methoxyphenyl)carbamothioylamino]-1-nitro-hept-1-en-2-olate CAS Name: (Z)-7-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1-nitro-1-hepten-2-olate IUPAC Name: (Z)-7-[(4-methoxyphenyl)carbamothioylamino]-1-nitrohept-1-en-2-olate Traditional Name: (Z)-7-[(4-methoxyphenyl)thiocarbamoylamino]-1-nitro-hept-1-en-2-olate Formula: C15H20N3O4S- MolecularWeight: 338.402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCCCCC(=C[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCCCC/C(=C/[N+](=O)[O-])/[O-]

InChI

InChI=1S/C15H21N3O4S/c1-22-14-8-6-12(7-9-14)17-15(23)16-10-4-2-3-5-13(19)11-18(20)21/h6-9,11,19H,2-5,10H2,1H3,(H2,16,17,23)/p-1/b13-11-