(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[4-[bis(azanyl)methylideneamino]phenyl]carbonylsulfanylbenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[4-[bis(azanyl)methylideneamino]phenyl]carbonylsulfanylbenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(4-guanidinobenzoyl)sulfanylbenzoate CAS Name: 4-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]thio]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-[4-(diaminomethylideneamino)benzoyl]sulfanylbenzoate Traditional Name: 4-[(4-guanidinobenzoyl)thio]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)SC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)SC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H22N4O5S/c22-21(23)24-16-5-1-15(2-6-16)20(28)31-17-7-3-14(4-8-17)19(27)30-13-18(26)25-9-11-29-12-10-25/h1-8H,9-13H2,(H4,22,23,24)