3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)quinoxalin-2-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)quinoxalin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)quinoxalin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-[2-(1-piperazinyl)ethyl]-2-quinoxalinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)quinoxalin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]-(2-piperazinoethyl)amine Formula: C22H26BrN5OS MolecularWeight: 488.44374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCCN4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCCN4CCNCC4

InChI

InChI=1S/C22H26BrN5OS/c1-29-20-7-6-17(23)14-16(20)15-30-22-21(25-10-13-28-11-8-24-9-12-28)26-18-4-2-3-5-19(18)27-22/h2-7,14,24H,8-13,15H2,1H3,(H,25,26)