[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylcarbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COCCN1C(=O)CSC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

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