S-morpholin-4-yl 4-[[azanyl-[bis(azanyl)methylideneamino]methylidene]amino]benzenecarbothioate

Systemtic Name: S-morpholin-4-yl 4-[[azanyl-[bis(azanyl)methylideneamino]methylidene]amino]benzenecarbothioate Openeye Name: S-morpholino 4-[[amino(guanidino)methylene]amino]benzenecarbothioate CAS Name: 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzenecarbothioic acid S-(4-morpholinyl) ester IUPAC Name: S-morpholin-4-yl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzenecarbothioate Traditional Name: 4-[[amino(guanidino)methylene]amino]thiobenzoic acid S-morpholino ester Formula: C13H18N6O2S MolecularWeight: 322.38602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1SC(=O)C2=CC=C(C=C2)N=C(N)N=C(N)N

Isomeric SMILES

C1COCCN1SC(=O)C2=CC=C(C=C2)N=C(N)N=C(N)N

InChI

InChI=1S/C13H18N6O2S/c14-12(15)18-13(16)17-10-3-1-9(2-4-10)11(20)22-19-5-7-21-8-6-19/h1-4H,5-8H2,(H6,14,15,16,17,18)