[2-(2-azanyl-2-oxidanylidene-ethyl)-3,5-bis(bromanyl)-4-oxidanyl-phenyl] N-[4-[bis(azanyl)methylideneamino]butyl]carbamate

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethyl)-3,5-bis(bromanyl)-4-oxidanyl-phenyl] N-[4-[bis(azanyl)methylideneamino]butyl]carbamate Openeye Name: [2-(2-amino-2-oxo-ethyl)-3,5-dibromo-4-hydroxy-phenyl] N-(4-guanidinobutyl)carbamate CAS Name: N-[4-(diaminomethylideneamino)butyl]carbamic acid [2-(2-amino-2-oxoethyl)-3,5-dibromo-4-hydroxyphenyl] ester IUPAC Name: [2-(2-amino-2-oxoethyl)-3,5-dibromo-4-hydroxyphenyl] N-[4-(diaminomethylideneamino)butyl]carbamate Traditional Name: N-(4-guanidinobutyl)carbamic acid [2-(2-amino-2-keto-ethyl)-3,5-dibromo-4-hydroxy-phenyl] ester Formula: C14H19Br2N5O4 MolecularWeight: 481.13976

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Br)O)Br)CC(=O)N)OC(=O)NCCCCN=C(N)N

Isomeric SMILES

C1=C(C(=C(C(=C1Br)O)Br)CC(=O)N)OC(=O)NCCCCN=C(N)N

InChI

InChI=1S/C14H19Br2N5O4/c15-8-6-9(7(5-10(17)22)11(16)12(8)23)25-14(24)21-4-2-1-3-20-13(18)19/h6,23H,1-5H2,(H2,17,22)(H,21,24)(H4,18,19,20)