N-azanylcarbamothioate; S-methyl N-[2-[(5-nitrofuran-2-yl)methylidene]butylideneamino]carbamothioate

Systemtic Name: N-azanylcarbamothioate; S-methyl N-[2-[(5-nitrofuran-2-yl)methylidene]butylideneamino]carbamothioate Openeye Name: N-aminocarbamothioate; S-methyl N-[2-[(5-nitro-2-furyl)methylene]butylideneamino]carbamothioate CAS Name: N-aminocarbamothioate; N-[2-[(5-nitro-2-furanyl)methylidene]butylideneamino]carbamothioic acid S-methyl ester IUPAC Name: N-aminocarbamothioate; S-methyl N-[2-[(5-nitrofuran-2-yl)methylidene]butylideneamino]carbamothioate Traditional Name: N-aminothiocarbamate; N-[[2-ethyl-3-(5-nitro-2-furyl)prop-2-enylidene]amino]thiocarbamic acid S-methyl ester Formula: C12H16N5O5S2- MolecularWeight: 374.41594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=C(O1)[N+](=O)[O-])C=NNC(=O)SC.C(=S)(NN)[O-]

Isomeric SMILES

CCC(=CC1=CC=C(O1)[N+](=O)[O-])C=NNC(=O)SC.C(=S)(NN)[O-]

InChI

InChI=1S/C11H13N3O4S.CH4N2OS/c1-3-8(7-12-13-11(15)19-2)6-9-4-5-10(18-9)14(16)17;2-3-1(4)5/h4-7H,3H2,1-2H3,(H,13,15);2H2,(H2,3,4,5)/p-1