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

Systemtic Name: phenethyl 4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-guanidinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-guanidinosulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C20H23N5O5S2/c21-19(22)25-32(28,29)16-8-6-15(7-9-16)23-20(31)24-17(26)10-11-18(27)30-13-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H4,21,22,25)(H2,23,24,26,31)