2-methoxyethyl 4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-guanidinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-guanidinosulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C15H21N5O6S2 MolecularWeight: 431.48714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C15H21N5O6S2/c1-25-8-9-26-13(22)7-6-12(21)19-15(27)18-10-2-4-11(5-3-10)28(23,24)20-14(16)17/h2-5H,6-9H2,1H3,(H4,16,17,20)(H2,18,19,21,27)