3-phenylpropyl 5-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-guanidinosulfonylphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-guanidinosulfonylphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H27N5O5S2 MolecularWeight: 505.61028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C22H27N5O5S2/c23-21(24)27-34(30,31)18-13-11-17(12-14-18)25-22(33)26-19(28)9-4-10-20(29)32-15-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-14H,4-5,8-10,15H2,(H4,23,24,27)(H2,25,26,28,33)