phenyl 3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-4-[bis(azanyl)methylideneamino]-2-ethyl-benzoate

Systemtic Name: phenyl 3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-4-[bis(azanyl)methylideneamino]-2-ethyl-benzoate Openeye Name: phenyl 3-[4-(2-amino-2-oxo-ethyl)piperazine-1-carbonyl]-2-ethyl-4-guanidino-benzoate CAS Name: 3-[[4-(2-amino-2-oxoethyl)-1-piperazinyl]-oxomethyl]-4-(diaminomethylideneamino)-2-ethylbenzoic acid phenyl ester IUPAC Name: phenyl 3-[4-(2-amino-2-oxoethyl)piperazine-1-carbonyl]-4-(diaminomethylideneamino)-2-ethylbenzoate Traditional Name: 3-[4-(2-amino-2-keto-ethyl)piperazine-1-carbonyl]-2-ethyl-4-guanidino-benzoic acid phenyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=O)N2CCN(CC2)CC(=O)N)N=C(N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1C(=O)N2CCN(CC2)CC(=O)N)N=C(N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H28N6O4/c1-2-16-17(22(32)33-15-6-4-3-5-7-15)8-9-18(27-23(25)26)20(16)21(31)29-12-10-28(11-13-29)14-19(24)30/h3-9H,2,10-14H2,1H3,(H2,24,30)(H4,25,26,27)